(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride

C7H18ClNO — CID 176655743

IUPAC(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
SMILESCCC(CC)[C@@H](N)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-3-6(4-2)7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDKHNBNBSSGLATI-FJXQXJEOSA-N
MW167.68 g/mol
LogP1.16
Rot. Bonds4

About (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride

(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride (PubChem CID 176655743) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
PubChem CID176655743
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
SMILESCCC(CC)[C@@H](N)CO.Cl
InChIInChI=1S/C7H17NO.ClH/c1-3-6(4-2)7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDKHNBNBSSGLATI-FJXQXJEOSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucinol
CID 111307
L-Valinol
CID 640993
2-Amino-1-pentanol
CID 249017
D(-)-Leucinol
CID 2724002
Valinol
CID 79019
2-Amino-3-methylpentan-1-ol
CID 91202
2-Amino-4-methylpentan-1-ol
CID 79030
(2R)-2-aminopentan-1-ol
CID 5324727
D-Valinol
CID 6950587
(2S,3S)-2-Amino-3-methyl-1-pentanol
CID 2724027
(2S)-2-aminopentan-1-ol
CID 6951248
(S)-2-Amino-4-methylpentan-1-ol hydrochloride
CID 12305004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride (CID 176655743) is (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride is CCC(CC)[C@@H](N)CO.Cl.
What is the InChIKey of (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride?
The InChIKey is DKHNBNBSSGLATI-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-3-6(4-2)7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride?
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethylpentan-1-ol;hydrochloride is sourced from PubChem (CID 176655743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).