N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine

C19H40N2 — CID 15030034

IUPACN-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-4-5-6-8-15-21(18-12-19(2)3)17-11-16-20-13-9-7-10-14-20/h19H,4-18H2,1-3H3
InChIKeyWARXFFRVGDUCCN-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.79
Rot. Bonds12

About N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine

N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine (PubChem CID 15030034) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
PubChem CID15030034
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-4-5-6-8-15-21(18-12-19(2)3)17-11-16-20-13-9-7-10-14-20/h19H,4-18H2,1-3H3
InChIKeyWARXFFRVGDUCCN-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.79
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-(3-piperidin-1-ylpropyl)hexan-1-amine?
The IUPAC name of N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine (CID 15030034) is N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
The canonical SMILES for N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine is CCCCCCN(CCCN1CCCCC1)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
The InChIKey is WARXFFRVGDUCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-4-5-6-8-15-21(18-12-19(2)3)17-11-16-20-13-9-7-10-14-20/h19H,4-18H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 15030034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).