2,2-dimethyl-N-propylundec-3-yn-6-amine

C16H31N — CID 114190619

IUPAC2,2-dimethyl-N-propylundec-3-yn-6-amine
SMILESCCCCCC(CC#CC(C)(C)C)NCCC
InChIInChI=1S/C16H31N/c1-6-8-9-11-15(17-14-7-2)12-10-13-16(3,4)5/h15,17H,6-9,11-12,14H2,1-5H3
InChIKeyYNYJNDRWCJEHRF-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds8

About 2,2-dimethyl-N-propylundec-3-yn-6-amine

2,2-dimethyl-N-propylundec-3-yn-6-amine (PubChem CID 114190619) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propylundec-3-yn-6-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propylundec-3-yn-6-amine
PubChem CID114190619
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2,2-dimethyl-N-propylundec-3-yn-6-amine
SMILESCCCCCC(CC#CC(C)(C)C)NCCC
InChIInChI=1S/C16H31N/c1-6-8-9-11-15(17-14-7-2)12-10-13-16(3,4)5/h15,17H,6-9,11-12,14H2,1-5H3
InChIKeyYNYJNDRWCJEHRF-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-propylundec-3-yn-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyldodec-1-yn-4-amine
CID 114977040
3-(propylamino)dodecan-1-ol
CID 114078400
N-ethyl-1,1,1-trifluoro-8,8-dimethylnon-6-yn-4-amine
CID 114190311
2,2,3-trimethyl-N-propyldodecan-5-amine
CID 115832322
N-propyldodec-2-yn-6-amine
CID 105037370
N-propylheptadec-2-yn-6-amine
CID 105037149
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
3-(propylamino)octanoic acid
CID 65236030
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-tridecylpentadecan-3-amine
CID 88820168
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propylundec-3-yn-6-amine?
The IUPAC name of 2,2-dimethyl-N-propylundec-3-yn-6-amine (CID 114190619) is 2,2-dimethyl-N-propylundec-3-yn-6-amine.
What is the SMILES notation for 2,2-dimethyl-N-propylundec-3-yn-6-amine?
The canonical SMILES for 2,2-dimethyl-N-propylundec-3-yn-6-amine is CCCCCC(CC#CC(C)(C)C)NCCC.
What is the InChIKey of 2,2-dimethyl-N-propylundec-3-yn-6-amine?
The InChIKey is YNYJNDRWCJEHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-8-9-11-15(17-14-7-2)12-10-13-16(3,4)5/h15,17H,6-9,11-12,14H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propylundec-3-yn-6-amine?
2,2-dimethyl-N-propylundec-3-yn-6-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propylundec-3-yn-6-amine is sourced from PubChem (CID 114190619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).