(3R,4R,5R)-4,5-dimethyloctan-3-amine

C10H23N — CID 151288694

IUPAC(3R,4R,5R)-4,5-dimethyloctan-3-amine
SMILESCCC[C@@H](C)[C@@H](C)[C@H](N)CC
InChIInChI=1S/C10H23N/c1-5-7-8(3)9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyNZYSVPNESKLFAR-OPRDCNLKSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds5

About (3R,4R,5R)-4,5-dimethyloctan-3-amine

(3R,4R,5R)-4,5-dimethyloctan-3-amine (PubChem CID 151288694) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (3R,4R,5R)-4,5-dimethyloctan-3-amine.

Molecular Properties

Compound Name(3R,4R,5R)-4,5-dimethyloctan-3-amine
PubChem CID151288694
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(3R,4R,5R)-4,5-dimethyloctan-3-amine
SMILESCCC[C@@H](C)[C@@H](C)[C@H](N)CC
InChIInChI=1S/C10H23N/c1-5-7-8(3)9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3/t8-,9-,10-/m1/s1
InChIKeyNZYSVPNESKLFAR-OPRDCNLKSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-4,5-dimethylheptan-3-amine
CID 163978078
bis((3R,4R,5R)-3-amino-4,5-dimethyloctanoic acid);hydrochloride
CID 143112530
(3R)-3,4-dimethylheptane
CID 59819300
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
(4R,5R)-octane-4,5-diamine
CID 13138963
hexane-3,4-diamine
CID 12656175
4-methyltetradecan-5-amine
CID 115831509
1-methoxy-3-methylhexan-2-amine
CID 105008836
4-methylundecan-3-amine
CID 63562083
5-ethyl-2,6,7-trimethyldecane
CID 123648141
2,2,5-trimethyloctan-4-amine
CID 107893664
azane;heptan-4-amine
CID 118430725

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-4,5-dimethyloctan-3-amine?
The IUPAC name of (3R,4R,5R)-4,5-dimethyloctan-3-amine (CID 151288694) is (3R,4R,5R)-4,5-dimethyloctan-3-amine.
What is the SMILES notation for (3R,4R,5R)-4,5-dimethyloctan-3-amine?
The canonical SMILES for (3R,4R,5R)-4,5-dimethyloctan-3-amine is CCC[C@@H](C)[C@@H](C)[C@H](N)CC.
What is the InChIKey of (3R,4R,5R)-4,5-dimethyloctan-3-amine?
The InChIKey is NZYSVPNESKLFAR-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H23N/c1-5-7-8(3)9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3/t8-,9-,10-/m1/s1.
What are the key properties of (3R,4R,5R)-4,5-dimethyloctan-3-amine?
(3R,4R,5R)-4,5-dimethyloctan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4,5-dimethyloctan-3-amine is sourced from PubChem (CID 151288694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).