3,3-dimethyl-N-propyloct-6-yn-1-amine

C13H25N — CID 104813839

IUPAC3,3-dimethyl-N-propyloct-6-yn-1-amine
SMILESCC#CCCC(C)(C)CCNCCC
InChIInChI=1S/C13H25N/c1-5-7-8-9-13(3,4)10-12-14-11-6-2/h14H,6,8-12H2,1-4H3
InChIKeyATKMTSSVPSDPMQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.21
Rot. Bonds7

About 3,3-dimethyl-N-propyloct-6-yn-1-amine

3,3-dimethyl-N-propyloct-6-yn-1-amine (PubChem CID 104813839) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyloct-6-yn-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyloct-6-yn-1-amine
PubChem CID104813839
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3,3-dimethyl-N-propyloct-6-yn-1-amine
SMILESCC#CCCC(C)(C)CCNCCC
InChIInChI=1S/C13H25N/c1-5-7-8-9-13(3,4)10-12-14-11-6-2/h14H,6,8-12H2,1-4H3
InChIKeyATKMTSSVPSDPMQ-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.21
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 3,3-dimethyl-N-propyloct-6-yn-1-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

3-methyl-1-(propylamino)oct-6-yn-3-ol
CID 104813083
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N-(3,3,3-trifluoropropyl)pent-3-yn-1-amine
CID 104806864
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
2,2-dimethyl-N-pentyl-N'-pent-3-ynylpropane-1,3-diamine
CID 134309918
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
3,3-dimethyl-5-methylidene-N-propylheptan-1-amine
CID 81021780
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
N-(2-ethylsulfanylethyl)pent-3-yn-1-amine
CID 116643789
2-methyl-2-N-pent-3-ynylheptane-1,2-diamine
CID 116643472
3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
CID 105350355
2,2-dimethyl-N-propylpropan-1-amine
CID 551573

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyloct-6-yn-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyloct-6-yn-1-amine (CID 104813839) is 3,3-dimethyl-N-propyloct-6-yn-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyloct-6-yn-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyloct-6-yn-1-amine is CC#CCCC(C)(C)CCNCCC.
What is the InChIKey of 3,3-dimethyl-N-propyloct-6-yn-1-amine?
The InChIKey is ATKMTSSVPSDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-7-8-9-13(3,4)10-12-14-11-6-2/h14H,6,8-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propyloct-6-yn-1-amine?
3,3-dimethyl-N-propyloct-6-yn-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyloct-6-yn-1-amine is sourced from PubChem (CID 104813839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).