N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine

C14H30N2 — CID 61043784

IUPACN-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)CCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)6-5-9-15-14-7-10-16(11-8-14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXHCCJAPOAPPVKM-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine

N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 61043784) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID61043784
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)CCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)6-5-9-15-14-7-10-16(11-8-14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXHCCJAPOAPPVKM-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
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

1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166963082

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine (CID 61043784) is N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine is CC(C)CCCNC1CCN(C(C)C)CC1.
What is the InChIKey of N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is XHCCJAPOAPPVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)6-5-9-15-14-7-10-16(11-8-14)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine?
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 61043784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).