(3R)-2,2-dimethylheptan-3-amine

C9H21N — CID 55289199

IUPAC(3R)-2,2-dimethylheptan-3-amine
SMILESCCCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H21N/c1-5-6-7-8(10)9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyNGAWIXFWWDAXPX-MRVPVSSYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds3

About (3R)-2,2-dimethylheptan-3-amine

(3R)-2,2-dimethylheptan-3-amine (PubChem CID 55289199) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (3R)-2,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name(3R)-2,2-dimethylheptan-3-amine
PubChem CID55289199
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(3R)-2,2-dimethylheptan-3-amine
SMILESCCCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H21N/c1-5-6-7-8(10)9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyNGAWIXFWWDAXPX-MRVPVSSYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethylheptan-3-amine?
The IUPAC name of (3R)-2,2-dimethylheptan-3-amine (CID 55289199) is (3R)-2,2-dimethylheptan-3-amine.
What is the SMILES notation for (3R)-2,2-dimethylheptan-3-amine?
The canonical SMILES for (3R)-2,2-dimethylheptan-3-amine is CCCC[C@@H](N)C(C)(C)C.
What is the InChIKey of (3R)-2,2-dimethylheptan-3-amine?
The InChIKey is NGAWIXFWWDAXPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-6-7-8(10)9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-2,2-dimethylheptan-3-amine?
(3R)-2,2-dimethylheptan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethylheptan-3-amine is sourced from PubChem (CID 55289199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).