N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine

C16H34N2 — CID 62593600

IUPACN-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-5-6-7-8-11-18-12-9-10-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyYUFCDPNIEYABCC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine

N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62593600) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID62593600
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-5-6-7-8-11-18-12-9-10-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyYUFCDPNIEYABCC-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
3-ethyl-1-heptylpiperidine
CID 171569576
3-butyl-1-dodecylpiperidine
CID 171569666
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine (CID 62593600) is N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine is CCCCCCN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is YUFCDPNIEYABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-7-8-11-18-12-9-10-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine?
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62593600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).