5,5,6,7,7,9,9-heptamethyldecan-3-amine

C17H37N — CID 123992733

IUPAC5,5,6,7,7,9,9-heptamethyldecan-3-amine
SMILESCCC(N)CC(C)(C)C(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-10-14(18)11-16(6,7)13(2)17(8,9)12-15(3,4)5/h13-14H,10-12,18H2,1-9H3
InChIKeyCTQFPEMVECAOLG-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.24
Rot. Bonds6

About 5,5,6,7,7,9,9-heptamethyldecan-3-amine

5,5,6,7,7,9,9-heptamethyldecan-3-amine (PubChem CID 123992733) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 5,5,6,7,7,9,9-heptamethyldecan-3-amine.

Molecular Properties

Compound Name5,5,6,7,7,9,9-heptamethyldecan-3-amine
PubChem CID123992733
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name5,5,6,7,7,9,9-heptamethyldecan-3-amine
SMILESCCC(N)CC(C)(C)C(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37N/c1-10-14(18)11-16(6,7)13(2)17(8,9)12-15(3,4)5/h13-14H,10-12,18H2,1-9H3
InChIKeyCTQFPEMVECAOLG-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5,6,7,7,9,9-heptamethyldecan-3-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

3,3,5,5-tetramethylhexan-2-amine
CID 143433307
6,6-dimethylheptan-3-amine;hydrochloride
CID 170889059
5-methyl-5-silyloxyhexan-3-amine
CID 173027974
2-methyloctane-3,6-diamine
CID 88683394
tetradecane-3,6,9,12-tetramine
CID 140993886
4-amino-2,2-dimethylhexanoic acid
CID 91454797
2,5,5,6,9,9-hexamethyldecane-3,7-diamine
CID 130251499
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
4,4,5-trimethylheptan-2-amine
CID 79446390
pentan-3-amine;hydroiodide
CID 173436389
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
(3S)-2-methylheptane-3,5-diamine
CID 145088114

Frequently Asked Questions

What is the IUPAC name of 5,5,6,7,7,9,9-heptamethyldecan-3-amine?
The IUPAC name of 5,5,6,7,7,9,9-heptamethyldecan-3-amine (CID 123992733) is 5,5,6,7,7,9,9-heptamethyldecan-3-amine.
What is the SMILES notation for 5,5,6,7,7,9,9-heptamethyldecan-3-amine?
The canonical SMILES for 5,5,6,7,7,9,9-heptamethyldecan-3-amine is CCC(N)CC(C)(C)C(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of 5,5,6,7,7,9,9-heptamethyldecan-3-amine?
The InChIKey is CTQFPEMVECAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-10-14(18)11-16(6,7)13(2)17(8,9)12-15(3,4)5/h13-14H,10-12,18H2,1-9H3.
What are the key properties of 5,5,6,7,7,9,9-heptamethyldecan-3-amine?
5,5,6,7,7,9,9-heptamethyldecan-3-amine has a molecular weight of 255.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,7,7,9,9-heptamethyldecan-3-amine is sourced from PubChem (CID 123992733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).