3-methyl-N-propylhexadecan-4-amine

C20H43N — CID 63717053

IUPAC3-methyl-N-propylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(NCCC)C(C)CC
InChIInChI=1S/C20H43N/c1-5-8-9-10-11-12-13-14-15-16-17-20(19(4)7-3)21-18-6-2/h19-21H,5-18H2,1-4H3
InChIKeyRZURKWIQIQIBGB-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.71
Rot. Bonds16

About 3-methyl-N-propylhexadecan-4-amine

3-methyl-N-propylhexadecan-4-amine (PubChem CID 63717053) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 3-methyl-N-propylhexadecan-4-amine.

Molecular Properties

Compound Name3-methyl-N-propylhexadecan-4-amine
PubChem CID63717053
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name3-methyl-N-propylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(NCCC)C(C)CC
InChIInChI=1S/C20H43N/c1-5-8-9-10-11-12-13-14-15-16-17-20(19(4)7-3)21-18-6-2/h19-21H,5-18H2,1-4H3
InChIKeyRZURKWIQIQIBGB-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.71
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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Related Compounds

4-methyl-N-propyldecan-5-amine
CID 115837654
2-ethoxy-N-propylnonan-3-amine
CID 64532611
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
N,4-dipropyldodecan-5-amine
CID 115832095
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
N-propylnonan-2-amine
CID 43129664
N-ethyl-5-methyltridecan-6-amine
CID 114246331
3-ethyl-N-propyldodecan-2-amine
CID 63400125
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
1-(propylamino)dodecan-1-ol
CID 88518023

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylhexadecan-4-amine?
The IUPAC name of 3-methyl-N-propylhexadecan-4-amine (CID 63717053) is 3-methyl-N-propylhexadecan-4-amine.
What is the SMILES notation for 3-methyl-N-propylhexadecan-4-amine?
The canonical SMILES for 3-methyl-N-propylhexadecan-4-amine is CCCCCCCCCCCCC(NCCC)C(C)CC.
What is the InChIKey of 3-methyl-N-propylhexadecan-4-amine?
The InChIKey is RZURKWIQIQIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-5-8-9-10-11-12-13-14-15-16-17-20(19(4)7-3)21-18-6-2/h19-21H,5-18H2,1-4H3.
What are the key properties of 3-methyl-N-propylhexadecan-4-amine?
3-methyl-N-propylhexadecan-4-amine has a molecular weight of 297.57 g/mol, XLogP of 6.71, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylhexadecan-4-amine is sourced from PubChem (CID 63717053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).