4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine

C19H40N2 — CID 15030028

IUPAC4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine
SMILESCC(C)CCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-18(2)10-8-14-21(17-11-19(3)4)16-9-15-20-12-6-5-7-13-20/h18-19H,5-17H2,1-4H3
InChIKeyVBEUACUYIVPNNH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.65
Rot. Bonds11

About 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine

4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine (PubChem CID 15030028) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine
PubChem CID15030028
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine
SMILESCC(C)CCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-18(2)10-8-14-21(17-11-19(3)4)16-9-15-20-12-6-5-7-13-20/h18-19H,5-17H2,1-4H3
InChIKeyVBEUACUYIVPNNH-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine (CID 15030028) is 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine is CC(C)CCCN(CCCN1CCCCC1)CCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
The InChIKey is VBEUACUYIVPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-18(2)10-8-14-21(17-11-19(3)4)16-9-15-20-12-6-5-7-13-20/h18-19H,5-17H2,1-4H3.
What are the key properties of 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine?
4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)pentan-1-amine is sourced from PubChem (CID 15030028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).