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

C16H34N2 — CID 63528195

IUPACN-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C16H34N2/c1-4-5-6-8-11-18-12-9-7-10-16(18)14-17-13-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIENSIQYWJQIBJE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

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

N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63528195) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID63528195
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C16H34N2/c1-4-5-6-8-11-18-12-9-7-10-16(18)14-17-13-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIENSIQYWJQIBJE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 113473678
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
N-(2-methylpropyl)-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061694
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-dodecyl-2-ethylpiperidine
CID 171569899
(1-dodecylazepan-2-yl)methanamine
CID 116640397
2-butyl-1-hexylpiperidine
CID 171569565

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine (CID 63528195) is N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is CCCCCCN1CCCCC1CNCC(C)C.
What is the InChIKey of N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is IENSIQYWJQIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-6-8-11-18-12-9-7-10-16(18)14-17-13-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine?
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63528195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).