N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine

C19H40N2 — CID 63528370

IUPACN-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCCCCCCCCN1CCCC(CNCCC)C1
InChIInChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-15-21-16-12-13-19(18-21)17-20-14-4-2/h19-20H,3-18H2,1-2H3
InChIKeyRHRGGZIIUIVUIR-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds13

About N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine

N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 63528370) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID63528370
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
SMILESCCCCCCCCCCN1CCCC(CNCCC)C1
InChIInChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-15-21-16-12-13-19(18-21)17-20-14-4-2/h19-20H,3-18H2,1-2H3
InChIKeyRHRGGZIIUIVUIR-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
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-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
3-ethyl-1-heptylpiperidine
CID 171569576
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
3-butyl-1-dodecylpiperidine
CID 171569666
1,3-di(tridecyl)piperidine
CID 162511834
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674

Frequently Asked Questions

What is the IUPAC name of N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine (CID 63528370) is N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine is CCCCCCCCCCN1CCCC(CNCCC)C1.
What is the InChIKey of N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is RHRGGZIIUIVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-15-21-16-12-13-19(18-21)17-20-14-4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine?
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63528370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).