(3R)-4-amino-3,4-dimethylpentan-1-ol

C7H17NO — CID 97030968

IUPAC(3R)-4-amino-3,4-dimethylpentan-1-ol
SMILESC[C@H](CCO)C(C)(C)N
InChIInChI=1S/C7H17NO/c1-6(4-5-9)7(2,3)8/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyDMRRHIHVXKUMHB-ZCFIWIBFSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds3

About (3R)-4-amino-3,4-dimethylpentan-1-ol

(3R)-4-amino-3,4-dimethylpentan-1-ol (PubChem CID 97030968) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3R)-4-amino-3,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(3R)-4-amino-3,4-dimethylpentan-1-ol
PubChem CID97030968
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3R)-4-amino-3,4-dimethylpentan-1-ol
SMILESC[C@H](CCO)C(C)(C)N
InChIInChI=1S/C7H17NO/c1-6(4-5-9)7(2,3)8/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyDMRRHIHVXKUMHB-ZCFIWIBFSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
2,2,3-trimethylpentane-1,5-diol
CID 57197180
2,3-dimethylhexadecan-2-amine
CID 87479269
4-ethyl-4-(4-hydroxybutan-2-yl)-3,5-dimethylheptane-1,7-diol
CID 18724695
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-amino-3,4-dimethylheptan-1-ol
CID 154158859
2,3-dimethylundecan-2-amine;sulfuric acid
CID 170436301
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
CID 159142571
5,6-dimethylheptane-1,6-diamine;trifluoroborane
CID 88688314
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3,4-dimethylpentan-1-ol?
The IUPAC name of (3R)-4-amino-3,4-dimethylpentan-1-ol (CID 97030968) is (3R)-4-amino-3,4-dimethylpentan-1-ol.
What is the SMILES notation for (3R)-4-amino-3,4-dimethylpentan-1-ol?
The canonical SMILES for (3R)-4-amino-3,4-dimethylpentan-1-ol is C[C@H](CCO)C(C)(C)N.
What is the InChIKey of (3R)-4-amino-3,4-dimethylpentan-1-ol?
The InChIKey is DMRRHIHVXKUMHB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(4-5-9)7(2,3)8/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-4-amino-3,4-dimethylpentan-1-ol?
(3R)-4-amino-3,4-dimethylpentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3,4-dimethylpentan-1-ol is sourced from PubChem (CID 97030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).