6,6-diamino-3-methylhex-3-en-1-ol

C7H16N2O — CID 123254059

IUPAC6,6-diamino-3-methylhex-3-en-1-ol
SMILESCC(=CCC(N)N)CCO
InChIInChI=1S/C7H16N2O/c1-6(4-5-10)2-3-7(8)9/h2,7,10H,3-5,8-9H2,1H3
InChIKeyRPJIZTIERLCHLR-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.05
Rot. Bonds4

About 6,6-diamino-3-methylhex-3-en-1-ol

6,6-diamino-3-methylhex-3-en-1-ol (PubChem CID 123254059) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 6,6-diamino-3-methylhex-3-en-1-ol.

Molecular Properties

Compound Name6,6-diamino-3-methylhex-3-en-1-ol
PubChem CID123254059
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name6,6-diamino-3-methylhex-3-en-1-ol
SMILESCC(=CCC(N)N)CCO
InChIInChI=1S/C7H16N2O/c1-6(4-5-10)2-3-7(8)9/h2,7,10H,3-5,8-9H2,1H3
InChIKeyRPJIZTIERLCHLR-UHFFFAOYSA-N
XLogP-0.05
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-Amino-2,3-dimethylpent-3-en-1-ol
CID 90725287
2-Amino-3-methylpent-3-en-1-ol
CID 123287609
(Z)-1-amino-3-methylpent-3-en-1-ol
CID 130182127
(E,2R)-2-amino-3-methylpent-3-en-1-ol
CID 153163909
(E)-5-amino-4-methylpent-3-en-1-ol
CID 163506042
(Z)-5-amino-3-methylhex-3-en-1-ol
CID 163551043
(E)-5-amino-2,3-dimethylpent-3-en-1-ol
CID 163760546
[(Z)-1-amino-4-methylhex-3-enyl]oxidanium
CID 164091767
(Z)-7-amino-3-ethylhept-3-en-1-ol
CID 83980364
(Z)-1-amino-4-methylhex-3-en-1-ol
CID 164091768

Frequently Asked Questions

What is the IUPAC name of 6,6-diamino-3-methylhex-3-en-1-ol?
The IUPAC name of 6,6-diamino-3-methylhex-3-en-1-ol (CID 123254059) is 6,6-diamino-3-methylhex-3-en-1-ol.
What is the SMILES notation for 6,6-diamino-3-methylhex-3-en-1-ol?
The canonical SMILES for 6,6-diamino-3-methylhex-3-en-1-ol is CC(=CCC(N)N)CCO.
What is the InChIKey of 6,6-diamino-3-methylhex-3-en-1-ol?
The InChIKey is RPJIZTIERLCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(4-5-10)2-3-7(8)9/h2,7,10H,3-5,8-9H2,1H3.
What are the key properties of 6,6-diamino-3-methylhex-3-en-1-ol?
6,6-diamino-3-methylhex-3-en-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diamino-3-methylhex-3-en-1-ol is sourced from PubChem (CID 123254059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).