(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol

C9H19NO — CID 146552954

IUPAC(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
SMILESC=C(C)[C@@H](CC)[C@H](O)CCN
InChIInChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1
InChIKeyCNMLBBUZHVAJON-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.30
Rot. Bonds5

About (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol

(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol (PubChem CID 146552954) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
PubChem CID146552954
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
SMILESC=C(C)[C@@H](CC)[C@H](O)CCN
InChIInChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1
InChIKeyCNMLBBUZHVAJON-RKDXNWHRSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-1,4-diaminohexan-3-ol
CID 149307886
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
CID 10858039
(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol
CID 10888913
5-(2-methylpent-1-en-3-yl)undecane
CID 123769416
ethyl 2-ethyl-3-hydroxy-4-methylpent-4-enoate
CID 66038588
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
CID 10844880
1,3-diaminopropan-1-ol
CID 10419133
3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
(3S,4R,5S)-2,4-dimethylhept-1-ene-3,5-diol
CID 10997320
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726
(2R,3S)-2,5-diamino-3-hydroxypentanoic acid
CID 14780344

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol (CID 146552954) is (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol is C=C(C)[C@@H](CC)[C@H](O)CCN.
What is the InChIKey of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The InChIKey is CNMLBBUZHVAJON-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol is sourced from PubChem (CID 146552954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).