N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine

C19H34N4O — CID 131657863

IUPACN-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)CC1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C19H34N4O/c1-16(2)21(3)14-18-5-6-19(15-24-18)7-9-23(10-8-19)13-17-11-20-22(4)12-17/h11-12,16,18H,5-10,13-15H2,1-4H3
InChIKeyLTJKTOHEKOHIHM-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine

N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine (PubChem CID 131657863) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine
PubChem CID131657863
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)CC1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C19H34N4O/c1-16(2)21(3)14-18-5-6-19(15-24-18)7-9-23(10-8-19)13-17-11-20-22(4)12-17/h11-12,16,18H,5-10,13-15H2,1-4H3
InChIKeyLTJKTOHEKOHIHM-UHFFFAOYSA-N
XLogP2.52
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide
CID 155875275
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97477545
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743153
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
N,N-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
CID 134079367
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 131649452
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine (CID 131657863) is N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine is CC(C)N(C)CC1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine?
The InChIKey is LTJKTOHEKOHIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16(2)21(3)14-18-5-6-19(15-24-18)7-9-23(10-8-19)13-17-11-20-22(4)12-17/h11-12,16,18H,5-10,13-15H2,1-4H3.
What are the key properties of N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine?
N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine has a molecular weight of 334.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 131657863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).