(3S)-N,2,2-trimethylhexan-3-amine

C9H21N — CID 155282870

IUPAC(3S)-N,2,2-trimethylhexan-3-amine
SMILESCCC[C@H](NC)C(C)(C)C
InChIInChI=1S/C9H21N/c1-6-7-8(10-5)9(2,3)4/h8,10H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyIDASFFQKUCYCOZ-QMMMGPOBSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds3

About (3S)-N,2,2-trimethylhexan-3-amine

(3S)-N,2,2-trimethylhexan-3-amine (PubChem CID 155282870) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (3S)-N,2,2-trimethylhexan-3-amine.

Molecular Properties

Compound Name(3S)-N,2,2-trimethylhexan-3-amine
PubChem CID155282870
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(3S)-N,2,2-trimethylhexan-3-amine
SMILESCCC[C@H](NC)C(C)(C)C
InChIInChI=1S/C9H21N/c1-6-7-8(10-5)9(2,3)4/h8,10H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyIDASFFQKUCYCOZ-QMMMGPOBSA-N
XLogP2.42
TPSA12.03 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-2,2-dimethylhexan-3-yl]hydrazine
CID 124537822
2,2-dimethylhexan-3-ylhydrazine;hydrochloride
CID 175264360
N-(2,2-dimethylhexan-3-yl)formamide
CID 173284826
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
CID 79062384
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752
N,2,2-trimethyl-4-propylheptan-3-amine
CID 115854216
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
N,2,2-trimethyl-7-methylidenenonan-3-amine
CID 66037615
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
CID 62623158

Frequently Asked Questions

What is the IUPAC name of (3S)-N,2,2-trimethylhexan-3-amine?
The IUPAC name of (3S)-N,2,2-trimethylhexan-3-amine (CID 155282870) is (3S)-N,2,2-trimethylhexan-3-amine.
What is the SMILES notation for (3S)-N,2,2-trimethylhexan-3-amine?
The canonical SMILES for (3S)-N,2,2-trimethylhexan-3-amine is CCC[C@H](NC)C(C)(C)C.
What is the InChIKey of (3S)-N,2,2-trimethylhexan-3-amine?
The InChIKey is IDASFFQKUCYCOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N/c1-6-7-8(10-5)9(2,3)4/h8,10H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-N,2,2-trimethylhexan-3-amine?
(3S)-N,2,2-trimethylhexan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,2,2-trimethylhexan-3-amine is sourced from PubChem (CID 155282870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).