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

C14H30N2 — CID 106623140

IUPACN-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)N(C)CC1CCCCN1
InChIInChI=1S/C14H30N2/c1-4-5-6-9-13(2)16(3)12-14-10-7-8-11-15-14/h13-15H,4-12H2,1-3H3
InChIKeyKJAYGNQWIAAPHW-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds7

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

N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine (PubChem CID 106623140) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
PubChem CID106623140
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)N(C)CC1CCCCN1
InChIInChI=1S/C14H30N2/c1-4-5-6-9-13(2)16(3)12-14-10-7-8-11-15-14/h13-15H,4-12H2,1-3H3
InChIKeyKJAYGNQWIAAPHW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
CID 151260872
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
CID 102819660
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
1-piperidin-2-ylheptan-2-ol
CID 14021662

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine?
The IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine (CID 106623140) is N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine?
The canonical SMILES for N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine is CCCCCC(C)N(C)CC1CCCCN1.
What is the InChIKey of N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine?
The InChIKey is KJAYGNQWIAAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-9-13(2)16(3)12-14-10-7-8-11-15-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine?
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 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-2-ylmethyl)heptan-2-amine is sourced from PubChem (CID 106623140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).