N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine

C20H43N — CID 90929199

IUPACN,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine
SMILESCCCC(C)CCCCC(C)(CCCC(C)C)C(C)NC
InChIInChI=1S/C20H43N/c1-8-12-18(4)14-9-10-15-20(6,19(5)21-7)16-11-13-17(2)3/h17-19,21H,8-16H2,1-7H3
InChIKeyNSUXMTHBHQLBGU-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.42
Rot. Bonds13

About N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine

N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine (PubChem CID 90929199) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine.

Molecular Properties

Compound NameN,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine
PubChem CID90929199
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine
SMILESCCCC(C)CCCCC(C)(CCCC(C)C)C(C)NC
InChIInChI=1S/C20H43N/c1-8-12-18(4)14-9-10-15-20(6,19(5)21-7)16-11-13-17(2)3/h17-19,21H,8-16H2,1-7H3
InChIKeyNSUXMTHBHQLBGU-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine?
The IUPAC name of N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine (CID 90929199) is N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine.
What is the SMILES notation for N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine?
The canonical SMILES for N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine is CCCC(C)CCCCC(C)(CCCC(C)C)C(C)NC.
What is the InChIKey of N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine?
The InChIKey is NSUXMTHBHQLBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-8-12-18(4)14-9-10-15-20(6,19(5)21-7)16-11-13-17(2)3/h17-19,21H,8-16H2,1-7H3.
What are the key properties of N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine?
N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine has a molecular weight of 297.57 g/mol, XLogP of 6.42, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,8-trimethyl-3-(4-methylpentyl)undecan-2-amine is sourced from PubChem (CID 90929199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).