N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine

C24H38N4 — CID 166199352

IUPACN-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine
SMILESCN1CCN(c2ccc(CN3CCC4(CC3)CC4CN(C)C3CC3)cc2)CC1
InChIInChI=1S/C24H38N4/c1-25-13-15-28(16-14-25)23-5-3-20(4-6-23)18-27-11-9-24(10-12-27)17-21(24)19-26(2)22-7-8-22/h3-6,21-22H,7-19H2,1-2H3
InChIKeyNMBOJFGPHHSYOO-UHFFFAOYSA-N
MW382.60 g/mol
LogP3.13
Rot. Bonds6

About N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine

N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine (PubChem CID 166199352) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine
PubChem CID166199352
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC NameN-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine
SMILESCN1CCN(c2ccc(CN3CCC4(CC3)CC4CN(C)C3CC3)cc2)CC1
InChIInChI=1S/C24H38N4/c1-25-13-15-28(16-14-25)23-5-3-20(4-6-23)18-27-11-9-24(10-12-27)17-21(24)19-26(2)22-7-8-22/h3-6,21-22H,7-19H2,1-2H3
InChIKeyNMBOJFGPHHSYOO-UHFFFAOYSA-N
XLogP3.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 86300184
1-[4-(chloromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586241
4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid
CID 175592709
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
[6-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45216325
1-[4-[5-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-4-methylpiperazine
CID 126724901
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine (CID 166199352) is N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine is CN1CCN(c2ccc(CN3CCC4(CC3)CC4CN(C)C3CC3)cc2)CC1.
What is the InChIKey of N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine?
The InChIKey is NMBOJFGPHHSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4/c1-25-13-15-28(16-14-25)23-5-3-20(4-6-23)18-27-11-9-24(10-12-27)17-21(24)19-26(2)22-7-8-22/h3-6,21-22H,7-19H2,1-2H3.
What are the key properties of N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine?
N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine has a molecular weight of 382.60 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 166199352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).