3,5-diamino-2,2-dimethylpentan-1-ol

C7H18N2O — CID 88800401

IUPAC3,5-diamino-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)C(N)CCN
InChIInChI=1S/C7H18N2O/c1-7(2,5-10)6(9)3-4-8/h6,10H,3-5,8-9H2,1-2H3
InChIKeyREAAEGBUFGVXBN-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.32
Rot. Bonds4

About 3,5-diamino-2,2-dimethylpentan-1-ol

3,5-diamino-2,2-dimethylpentan-1-ol (PubChem CID 88800401) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3,5-diamino-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name3,5-diamino-2,2-dimethylpentan-1-ol
PubChem CID88800401
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3,5-diamino-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)C(N)CCN
InChIInChI=1S/C7H18N2O/c1-7(2,5-10)6(9)3-4-8/h6,10H,3-5,8-9H2,1-2H3
InChIKeyREAAEGBUFGVXBN-UHFFFAOYSA-N
XLogP-0.32
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-2,2-dimethylpentanol
CID 139489
2-Amino-4,4-dimethylpentan-1-ol
CID 22102263
3-Amino-4,4-dimethylpentan-1-ol
CID 23660604
(4S)-4-amino-2,2-dimethylpentan-1-ol
CID 165656836
(4R)-4-amino-2,2-dimethylpentan-1-ol
CID 165691045
(2-Amino-1-methylcyclobutyl)methanol hydrochloride
CID 165881030
(2-Amino-1-methylcyclobutyl)methanol
CID 165881031
(2S)-2-amino-4,4-dimethylpentan-1-ol
CID 15281647
3-Amino-2,2-dimethylhexan-1-ol
CID 20384482
3,4-Diamino-2,2,4-trimethylpentan-1-ol
CID 20528011
5-Amino-4,4-dimethylpentan-1-ol
CID 23501680
2-(Aminomethyl)-2-methylpentan-1-ol
CID 24976890

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-2,2-dimethylpentan-1-ol?
The IUPAC name of 3,5-diamino-2,2-dimethylpentan-1-ol (CID 88800401) is 3,5-diamino-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 3,5-diamino-2,2-dimethylpentan-1-ol?
The canonical SMILES for 3,5-diamino-2,2-dimethylpentan-1-ol is CC(C)(CO)C(N)CCN.
What is the InChIKey of 3,5-diamino-2,2-dimethylpentan-1-ol?
The InChIKey is REAAEGBUFGVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(2,5-10)6(9)3-4-8/h6,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3,5-diamino-2,2-dimethylpentan-1-ol?
3,5-diamino-2,2-dimethylpentan-1-ol has a molecular weight of 146.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 88800401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).