N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine

C17H36N2 — CID 62223084

IUPACN-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-3-4-5-6-7-8-9-10-13-18-16-17-11-14-19(2)15-12-17/h17-18H,3-16H2,1-2H3
InChIKeyPYEJFEXUSDIOSN-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds11

About N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine

N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine (PubChem CID 62223084) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
PubChem CID62223084
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-3-4-5-6-7-8-9-10-13-18-16-17-11-14-19(2)15-12-17/h17-18H,3-16H2,1-2H3
InChIKeyPYEJFEXUSDIOSN-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine (CID 62223084) is N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine is CCCCCCCCCCNCC1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine?
The InChIKey is PYEJFEXUSDIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-4-5-6-7-8-9-10-13-18-16-17-11-14-19(2)15-12-17/h17-18H,3-16H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine?
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine is sourced from PubChem (CID 62223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).