N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine

C16H34N2 — CID 63853121

IUPACN-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
SMILESCCCCCCN1CCCCC1C(C)NCCC
InChIInChI=1S/C16H34N2/c1-4-6-7-9-13-18-14-10-8-11-16(18)15(3)17-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyHIHCVNILBINIAX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine

N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine (PubChem CID 63853121) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
PubChem CID63853121
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
SMILESCCCCCCN1CCCCC1C(C)NCCC
InChIInChI=1S/C16H34N2/c1-4-6-7-9-13-18-14-10-8-11-16(18)15(3)17-12-5-2/h15-17H,4-14H2,1-3H3
InChIKeyHIHCVNILBINIAX-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
6-[2-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701936
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63852769
N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63854876
N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine (CID 63853121) is N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine is CCCCCCN1CCCCC1C(C)NCCC.
What is the InChIKey of N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine?
The InChIKey is HIHCVNILBINIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-7-9-13-18-14-10-8-11-16(18)15(3)17-12-5-2/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine?
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63853121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).