2-methyl-N-propyldodecan-3-amine

C16H35N — CID 63399825

IUPAC2-methyl-N-propyldodecan-3-amine
SMILESCCCCCCCCCC(NCCC)C(C)C
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-13-16(15(3)4)17-14-6-2/h15-17H,5-14H2,1-4H3
InChIKeyMFOHQKLPONYDSM-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About 2-methyl-N-propyldodecan-3-amine

2-methyl-N-propyldodecan-3-amine (PubChem CID 63399825) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-methyl-N-propyldodecan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyldodecan-3-amine
PubChem CID63399825
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2-methyl-N-propyldodecan-3-amine
SMILESCCCCCCCCCC(NCCC)C(C)C
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-11-12-13-16(15(3)4)17-14-6-2/h15-17H,5-14H2,1-4H3
InChIKeyMFOHQKLPONYDSM-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.15
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 2-methyl-N-propyldodecan-3-amine?
The IUPAC name of 2-methyl-N-propyldodecan-3-amine (CID 63399825) is 2-methyl-N-propyldodecan-3-amine.
What is the SMILES notation for 2-methyl-N-propyldodecan-3-amine?
The canonical SMILES for 2-methyl-N-propyldodecan-3-amine is CCCCCCCCCC(NCCC)C(C)C.
What is the InChIKey of 2-methyl-N-propyldodecan-3-amine?
The InChIKey is MFOHQKLPONYDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-7-8-9-10-11-12-13-16(15(3)4)17-14-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-methyl-N-propyldodecan-3-amine?
2-methyl-N-propyldodecan-3-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyldodecan-3-amine is sourced from PubChem (CID 63399825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).