1-amino-2-methylidenehexan-1-ol

C7H15NO — CID 143986600

IUPAC1-amino-2-methylidenehexan-1-ol
SMILESC=C(CCCC)C(N)O
InChIInChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h7,9H,2-5,8H2,1H3
InChIKeyRBNCZJBGAGDFHF-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.01
Rot. Bonds4

About 1-amino-2-methylidenehexan-1-ol

1-amino-2-methylidenehexan-1-ol (PubChem CID 143986600) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-2-methylidenehexan-1-ol.

Molecular Properties

Compound Name1-amino-2-methylidenehexan-1-ol
PubChem CID143986600
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-2-methylidenehexan-1-ol
SMILESC=C(CCCC)C(N)O
InChIInChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h7,9H,2-5,8H2,1H3
InChIKeyRBNCZJBGAGDFHF-UHFFFAOYSA-N
XLogP1.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-methylidenepentan-1-ol
CID 55284248
1-Amino-4-methylpent-4-en-1-ol
CID 87112346
4-(Aminomethyl)pent-4-en-1-ol
CID 89093313
6-Amino-4-methylidenehexan-1-ol
CID 117268172
(5S)-5-amino-2-methylidenehexan-1-ol
CID 148586163
Amino(cyclopenten-1-yl)methanol
CID 172259438
2-[Amino(hydroxy)methyl]hex-1-en-1-one;hydrate
CID 174614742
2-[Amino(hydroxy)methyl]hex-1-en-1-one
CID 174614743

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylidenehexan-1-ol?
The IUPAC name of 1-amino-2-methylidenehexan-1-ol (CID 143986600) is 1-amino-2-methylidenehexan-1-ol.
What is the SMILES notation for 1-amino-2-methylidenehexan-1-ol?
The canonical SMILES for 1-amino-2-methylidenehexan-1-ol is C=C(CCCC)C(N)O.
What is the InChIKey of 1-amino-2-methylidenehexan-1-ol?
The InChIKey is RBNCZJBGAGDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h7,9H,2-5,8H2,1H3.
What are the key properties of 1-amino-2-methylidenehexan-1-ol?
1-amino-2-methylidenehexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylidenehexan-1-ol is sourced from PubChem (CID 143986600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).