(2S)-2,6-dimethylheptan-1-amine

C9H21N — CID 13329794

IUPAC(2S)-2,6-dimethylheptan-1-amine
SMILESCC(C)CCC[C@H](C)CN
InChIInChI=1S/C9H21N/c1-8(2)5-4-6-9(3)7-10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1
InChIKeyHWDRGAFTIGABCW-VIFPVBQESA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2,6-dimethylheptan-1-amine

(2S)-2,6-dimethylheptan-1-amine (PubChem CID 13329794) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (2S)-2,6-dimethylheptan-1-amine.

Molecular Properties

Compound Name(2S)-2,6-dimethylheptan-1-amine
PubChem CID13329794
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(2S)-2,6-dimethylheptan-1-amine
SMILESCC(C)CCC[C@H](C)CN
InChIInChI=1S/C9H21N/c1-8(2)5-4-6-9(3)7-10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1
InChIKeyHWDRGAFTIGABCW-VIFPVBQESA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2,6-dimethylheptan-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

(3R)-3,7-dimethyloctan-1-amine
CID 92974894
6-ethyl-2-methyloctan-1-amine
CID 169188535
10-amino-9-methyldecane-1-thiol
CID 87559449
2,5,9,13-tetramethyltetradecane
CID 58292409
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
2-methylnonan-1-amine
CID 21396878
(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
2-methyltricosan-1-amine
CID 87547792
4,8-dimethylnonan-2-amine
CID 83168373
2-methyloctadecan-1-amine
CID 56980469
(2S)-2-methylbutane-1,4-diamine
CID 51382069
tetrakis((3S)-3,7-dimethyloctan-1-amine);platinum(2+);tetrachloroplatinum(2-)
CID 173193055

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-dimethylheptan-1-amine?
The IUPAC name of (2S)-2,6-dimethylheptan-1-amine (CID 13329794) is (2S)-2,6-dimethylheptan-1-amine.
What is the SMILES notation for (2S)-2,6-dimethylheptan-1-amine?
The canonical SMILES for (2S)-2,6-dimethylheptan-1-amine is CC(C)CCC[C@H](C)CN.
What is the InChIKey of (2S)-2,6-dimethylheptan-1-amine?
The InChIKey is HWDRGAFTIGABCW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N/c1-8(2)5-4-6-9(3)7-10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2,6-dimethylheptan-1-amine?
(2S)-2,6-dimethylheptan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-dimethylheptan-1-amine is sourced from PubChem (CID 13329794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).