N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine

C19H40N2 — CID 63405022

IUPACN-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
SMILESCCCCCCCCCCN1CCCC(CNC(C)C)C1
InChIInChI=1S/C19H40N2/c1-4-5-6-7-8-9-10-11-14-21-15-12-13-19(17-21)16-20-18(2)3/h18-20H,4-17H2,1-3H3
InChIKeyLDARJNJCAMXZQM-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds12

About N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine

N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 63405022) 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-2-amine.

Molecular Properties

Compound NameN-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID63405022
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
SMILESCCCCCCCCCCN1CCCC(CNC(C)C)C1
InChIInChI=1S/C19H40N2/c1-4-5-6-7-8-9-10-11-14-21-15-12-13-19(17-21)16-20-18(2)3/h18-20H,4-17H2,1-3H3
InChIKeyLDARJNJCAMXZQM-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
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-2-amine
CID 62581880
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
3-ethyl-1-heptylpiperidine
CID 171569576
3-butyl-1-dodecylpiperidine
CID 171569666
1,3-di(tridecyl)piperidine
CID 162511834
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
N-[(1-heptan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 80558125

Frequently Asked Questions

What is the IUPAC name of N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine (CID 63405022) is N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine is CCCCCCCCCCN1CCCC(CNC(C)C)C1.
What is the InChIKey of N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is LDARJNJCAMXZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-4-5-6-7-8-9-10-11-14-21-15-12-13-19(17-21)16-20-18(2)3/h18-20H,4-17H2,1-3H3.
What are the key properties of N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine?
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 12 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-2-amine is sourced from PubChem (CID 63405022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).