N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine

C14H30N2 — CID 80558048

IUPACN-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-13(2)16(3)12-14-8-10-15-11-9-14/h13-15H,4-12H2,1-3H3
InChIKeyBMWNUPVUUSZWHC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine

N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine (PubChem CID 80558048) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
PubChem CID80558048
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-13(2)16(3)12-14-8-10-15-11-9-14/h13-15H,4-12H2,1-3H3
InChIKeyBMWNUPVUUSZWHC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
4-heptan-2-ylpiperidine
CID 143122379
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 120848749
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine (CID 80558048) is N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine is CCCCCC(C)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine?
The InChIKey is BMWNUPVUUSZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-13(2)16(3)12-14-8-10-15-11-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine?
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine is sourced from PubChem (CID 80558048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).