6-amino-4-methylidenehexan-1-ol

C7H15NO — CID 117268172

IUPAC6-amino-4-methylidenehexan-1-ol
SMILESC=C(CCN)CCCO
InChIInChI=1S/C7H15NO/c1-7(4-5-8)3-2-6-9/h9H,1-6,8H2
InChIKeyHBVXBUBFWVDDHU-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds5

About 6-amino-4-methylidenehexan-1-ol

6-amino-4-methylidenehexan-1-ol (PubChem CID 117268172) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 6-amino-4-methylidenehexan-1-ol.

Molecular Properties

Compound Name6-amino-4-methylidenehexan-1-ol
PubChem CID117268172
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name6-amino-4-methylidenehexan-1-ol
SMILESC=C(CCN)CCCO
InChIInChI=1S/C7H15NO/c1-7(4-5-8)3-2-6-9/h9H,1-6,8H2
InChIKeyHBVXBUBFWVDDHU-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
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

2-Amino-4-methylidenehexan-1-ol
CID 55253962
5-Amino-2-methylidenepentan-1-ol
CID 55284248
1-Amino-4-methylpent-4-en-1-ol
CID 87112346
7-Aminohept-1-en-2-ol
CID 89084096
4-(Aminomethyl)pent-4-en-1-ol
CID 89093313
1-Amino-5-methylhex-5-en-2-ol
CID 117940718
1-Amino-2-methylidenehexan-1-ol
CID 143986600
(4R)-4-amino-5-methylhex-5-en-1-ol
CID 145616966
1-Amino-2,4-dimethylpent-4-en-1-ol
CID 147866267
(5S)-5-amino-2-methylidenehexan-1-ol
CID 148586163
(2R)-2-amino-3-methylidenehexan-1-ol
CID 155396355
(3R)-3-amino-5-methylhex-5-en-1-ol
CID 170584879

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methylidenehexan-1-ol?
The IUPAC name of 6-amino-4-methylidenehexan-1-ol (CID 117268172) is 6-amino-4-methylidenehexan-1-ol.
What is the SMILES notation for 6-amino-4-methylidenehexan-1-ol?
The canonical SMILES for 6-amino-4-methylidenehexan-1-ol is C=C(CCN)CCCO.
What is the InChIKey of 6-amino-4-methylidenehexan-1-ol?
The InChIKey is HBVXBUBFWVDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(4-5-8)3-2-6-9/h9H,1-6,8H2.
What are the key properties of 6-amino-4-methylidenehexan-1-ol?
6-amino-4-methylidenehexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methylidenehexan-1-ol is sourced from PubChem (CID 117268172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).