N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine

C17H29N3 — CID 81338605

IUPACN-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)CCCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)7-3-5-11-18-16-9-13-20(14-10-16)17-8-4-6-12-19-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyHQXUEWANYSMETG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.47
Rot. Bonds7

About N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine

N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 81338605) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID81338605
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)CCCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H29N3/c1-15(2)7-3-5-11-18-16-9-13-20(14-10-16)17-8-4-6-12-19-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyHQXUEWANYSMETG-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
CID 106675135
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103787981
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine (CID 81338605) is N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine is CC(C)CCCCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is HQXUEWANYSMETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)7-3-5-11-18-16-9-13-20(14-10-16)17-8-4-6-12-19-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2,1-2H3.
What are the key properties of N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 81338605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).