3,3-diamino-5,5-dimethylhexan-1-ol

C8H20N2O — CID 140837864

IUPAC3,3-diamino-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CC(N)(N)CCO
InChIInChI=1S/C8H20N2O/c1-7(2,3)6-8(9,10)4-5-11/h11H,4-6,9-10H2,1-3H3
InChIKeyFUXZYULXJGWIIY-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.42
Rot. Bonds3

About 3,3-diamino-5,5-dimethylhexan-1-ol

3,3-diamino-5,5-dimethylhexan-1-ol (PubChem CID 140837864) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,3-diamino-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name3,3-diamino-5,5-dimethylhexan-1-ol
PubChem CID140837864
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3,3-diamino-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CC(N)(N)CCO
InChIInChI=1S/C8H20N2O/c1-7(2,3)6-8(9,10)4-5-11/h11H,4-6,9-10H2,1-3H3
InChIKeyFUXZYULXJGWIIY-UHFFFAOYSA-N
XLogP0.42
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-methylbutan-1-ol
CID 641000
3,3-dimethylbutan-1-ol;ethane
CID 155708762
3,4-diamino-3-(2-hydroxyethyl)-4-methylhexane-1,6-diol
CID 54177072
3,4-diamino-3-methylbutan-1-ol
CID 150597042
3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
CID 22649806
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228
1-aminopropane-1,1,3-triol
CID 54460463
3-amino-3-cyclopropylbutan-1-ol
CID 65240189
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-5,5-dimethylhexan-1-ol?
The IUPAC name of 3,3-diamino-5,5-dimethylhexan-1-ol (CID 140837864) is 3,3-diamino-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 3,3-diamino-5,5-dimethylhexan-1-ol?
The canonical SMILES for 3,3-diamino-5,5-dimethylhexan-1-ol is CC(C)(C)CC(N)(N)CCO.
What is the InChIKey of 3,3-diamino-5,5-dimethylhexan-1-ol?
The InChIKey is FUXZYULXJGWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(2,3)6-8(9,10)4-5-11/h11H,4-6,9-10H2,1-3H3.
What are the key properties of 3,3-diamino-5,5-dimethylhexan-1-ol?
3,3-diamino-5,5-dimethylhexan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 140837864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).