(3S)-4-ethyl-4-methylheptan-3-amine

C10H23N — CID 163621922

IUPAC(3S)-4-ethyl-4-methylheptan-3-amine
SMILESCCCC(C)(CC)[C@@H](N)CC
InChIInChI=1S/C10H23N/c1-5-8-10(4,7-3)9(11)6-2/h9H,5-8,11H2,1-4H3/t9-,10?/m0/s1
InChIKeyHOVNFIFWGKNYCC-RGURZIINSA-N
MW157.30 g/mol
LogP2.94
Rot. Bonds5

About (3S)-4-ethyl-4-methylheptan-3-amine

(3S)-4-ethyl-4-methylheptan-3-amine (PubChem CID 163621922) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (3S)-4-ethyl-4-methylheptan-3-amine.

Molecular Properties

Compound Name(3S)-4-ethyl-4-methylheptan-3-amine
PubChem CID163621922
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(3S)-4-ethyl-4-methylheptan-3-amine
SMILESCCCC(C)(CC)[C@@H](N)CC
InChIInChI=1S/C10H23N/c1-5-8-10(4,7-3)9(11)6-2/h9H,5-8,11H2,1-4H3/t9-,10?/m0/s1
InChIKeyHOVNFIFWGKNYCC-RGURZIINSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4-methylhexan-3-amine
CID 163866952
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
3,3,6,6-tetramethylnonan-5-amine
CID 89328233
4-fluoro-4-methylhexan-3-amine
CID 167068220
4-amino-3,3-dipropylhexan-1-ol
CID 66090314
3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane
CID 153454160
3,3-dimethylhexane-1,4-diamine
CID 116934427
3-methyl-3-propylhexan-2-ol
CID 20501676
4,4-dimethylnonan-5-amine
CID 87513740
4-amino-3,3-dimethylhexane-1-thiol
CID 166458300
3-methyl-3-propylhexane-2-thiol
CID 123142515
4-amino-3-ethylhexane-3-thiol
CID 19896314

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-4-methylheptan-3-amine?
The IUPAC name of (3S)-4-ethyl-4-methylheptan-3-amine (CID 163621922) is (3S)-4-ethyl-4-methylheptan-3-amine.
What is the SMILES notation for (3S)-4-ethyl-4-methylheptan-3-amine?
The canonical SMILES for (3S)-4-ethyl-4-methylheptan-3-amine is CCCC(C)(CC)[C@@H](N)CC.
What is the InChIKey of (3S)-4-ethyl-4-methylheptan-3-amine?
The InChIKey is HOVNFIFWGKNYCC-RGURZIINSA-N. The full InChI is InChI=1S/C10H23N/c1-5-8-10(4,7-3)9(11)6-2/h9H,5-8,11H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (3S)-4-ethyl-4-methylheptan-3-amine?
(3S)-4-ethyl-4-methylheptan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-4-methylheptan-3-amine is sourced from PubChem (CID 163621922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).