N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine

C23H48N2 — CID 19026135

IUPACN-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine
SMILESCC(C)CCCN(CCCCCCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C23H48N2/c1-22(2)14-13-20-25(21-15-23(3)4)19-10-7-5-6-9-16-24-17-11-8-12-18-24/h22-23H,5-21H2,1-4H3
InChIKeyBIUMGBLJHAYXCO-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.21
Rot. Bonds15

About N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine

N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine (PubChem CID 19026135) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine
PubChem CID19026135
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC NameN-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine
SMILESCC(C)CCCN(CCCCCCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C23H48N2/c1-22(2)14-13-20-25(21-15-23(3)4)19-10-7-5-6-9-16-24-17-11-8-12-18-24/h22-23H,5-21H2,1-4H3
InChIKeyBIUMGBLJHAYXCO-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine?
The IUPAC name of N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine (CID 19026135) is N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine?
The canonical SMILES for N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine is CC(C)CCCN(CCCCCCCN1CCCCC1)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine?
The InChIKey is BIUMGBLJHAYXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-22(2)14-13-20-25(21-15-23(3)4)19-10-7-5-6-9-16-24-17-11-8-12-18-24/h22-23H,5-21H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine?
N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine has a molecular weight of 352.65 g/mol, XLogP of 6.21, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(4-methylpentyl)-7-piperidin-1-ylheptan-1-amine is sourced from PubChem (CID 19026135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).