N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine

C18H35N3 — CID 62997233

IUPACN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H35N3/c1-19-17-7-3-2-4-8-18(17)21-13-9-16(10-14-21)15-20-11-5-6-12-20/h16-19H,2-15H2,1H3
InChIKeyCIKXBBRIKBHVJX-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine (PubChem CID 62997233) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
PubChem CID62997233
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C18H35N3/c1-19-17-7-3-2-4-8-18(17)21-13-9-16(10-14-21)15-20-11-5-6-12-20/h16-19H,2-15H2,1H3
InChIKeyCIKXBBRIKBHVJX-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
CID 62997411
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63009475
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine (CID 62997233) is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine is CNC1CCCCCC1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine?
The InChIKey is CIKXBBRIKBHVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-19-17-7-3-2-4-8-18(17)21-13-9-16(10-14-21)15-20-11-5-6-12-20/h16-19H,2-15H2,1H3.
What are the key properties of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine?
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine is sourced from PubChem (CID 62997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).