N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C23H32N4O — CID 120845188

IUPACN-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
SMILESCn1ccnc1CN(Cc1ccc(OCC2CC2)cc1)C1CC12CCNCC2
InChIInChI=1S/C23H32N4O/c1-26-13-12-25-22(26)16-27(21-14-23(21)8-10-24-11-9-23)15-18-4-6-20(7-5-18)28-17-19-2-3-19/h4-7,12-13,19,21,24H,2-3,8-11,14-17H2,1H3
InChIKeyHNLDLBNVOGQNST-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.35
Rot. Bonds8

About N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845188) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
PubChem CID120845188
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
SMILESCn1ccnc1CN(Cc1ccc(OCC2CC2)cc1)C1CC12CCNCC2
InChIInChI=1S/C23H32N4O/c1-26-13-12-25-22(26)16-27(21-14-23(21)8-10-24-11-9-23)15-18-4-6-20(7-5-18)28-17-19-2-3-19/h4-7,12-13,19,21,24H,2-3,8-11,14-17H2,1H3
InChIKeyHNLDLBNVOGQNST-UHFFFAOYSA-N
XLogP3.35
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845363
(2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129465993
N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845248
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845200
(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476402
N-[(3-chloro-2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 128994458
N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128991950
(2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476793
N-[(2,3-dichloro-4-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845220
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 154793432
N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120967056

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 120845188) is N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is Cn1ccnc1CN(Cc1ccc(OCC2CC2)cc1)C1CC12CCNCC2.
What is the InChIKey of N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
The InChIKey is HNLDLBNVOGQNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-26-13-12-25-22(26)16-27(21-14-23(21)8-10-24-11-9-23)15-18-4-6-20(7-5-18)28-17-19-2-3-19/h4-7,12-13,19,21,24H,2-3,8-11,14-17H2,1H3.
What are the key properties of N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?
N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 380.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethoxy)phenyl]methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).