(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol

C8H17NO — CID 142031045

IUPAC(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol
SMILESC=C(C)[C@H](CN)CCCO
InChIInChI=1S/C8H17NO/c1-7(2)8(6-9)4-3-5-10/h8,10H,1,3-6,9H2,2H3/t8-/m0/s1
InChIKeyDOAPOEKHBJCCSF-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.91
Rot. Bonds5

About (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol

(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol (PubChem CID 142031045) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol
PubChem CID142031045
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol
SMILESC=C(C)[C@H](CN)CCCO
InChIInChI=1S/C8H17NO/c1-7(2)8(6-9)4-3-5-10/h8,10H,1,3-6,9H2,2H3/t8-/m0/s1
InChIKeyDOAPOEKHBJCCSF-QMMMGPOBSA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.91
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

6-Amino-2-prop-2-enylhexan-1-ol
CID 19874774
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
2-(3-Aminopropyl)-2-prop-2-enylpent-4-en-1-ol
CID 88501618
(3Z)-3-(aminomethylidene)-4-methylhexan-1-ol
CID 89037211
5-(Aminomethyl)oct-7-en-2-ol
CID 89155232
(4S)-4-amino-2-ethyl-5-methylhex-5-en-1-ol
CID 124112396
(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol
CID 126612291
2-(Aminomethyl)hept-6-en-1-ol
CID 132039968
(3S)-7-amino-3-methylhept-1-en-2-ol
CID 132134652
(E,4S)-1-amino-4-methyloct-6-en-1-ol
CID 144365165
(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol
CID 145277324
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol?
The IUPAC name of (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol (CID 142031045) is (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol.
What is the SMILES notation for (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol?
The canonical SMILES for (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol is C=C(C)[C@H](CN)CCCO.
What is the InChIKey of (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol?
The InChIKey is DOAPOEKHBJCCSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8(6-9)4-3-5-10/h8,10H,1,3-6,9H2,2H3/t8-/m0/s1.
What are the key properties of (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol?
(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol is sourced from PubChem (CID 142031045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).