4,5-diamino-4-methylpentan-1-ol

C6H16N2O — CID 57082030

IUPAC4,5-diamino-4-methylpentan-1-ol
SMILESCC(N)(CN)CCCO
InChIInChI=1S/C6H16N2O/c1-6(8,5-7)3-2-4-9/h9H,2-5,7-8H2,1H3
InChIKeyAYFNCWDFVZHTSE-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds4

About 4,5-diamino-4-methylpentan-1-ol

4,5-diamino-4-methylpentan-1-ol (PubChem CID 57082030) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 4,5-diamino-4-methylpentan-1-ol.

Molecular Properties

Compound Name4,5-diamino-4-methylpentan-1-ol
PubChem CID57082030
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name4,5-diamino-4-methylpentan-1-ol
SMILESCC(N)(CN)CCCO
InChIInChI=1S/C6H16N2O/c1-6(8,5-7)3-2-4-9/h9H,2-5,7-8H2,1H3
InChIKeyAYFNCWDFVZHTSE-UHFFFAOYSA-N
XLogP-0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Diamino-2,2,4-trimethylpentan-1-ol
CID 20528011
2,3-Diamino-2-methylpentan-1-ol
CID 21110703
3,4-Diamino-4-methylpentan-1-ol
CID 21459563
1,4-Diamino-2,2,4-trimethylpentan-1-ol
CID 23373396
3,4-Diamino-2-ethyl-4-methylpentan-1-ol
CID 54022419
2,5-Diamino-2-methylpentan-1-ol
CID 54328429
4,5-Diamino-3-methylpentan-1-ol
CID 54483916
4,5-Diamino-2-ethyl-4-methylpentan-1-ol
CID 56993586
4,5-Diamino-2,2,4-trimethylpentan-1-ol
CID 57016667
1,5-Diamino-2-methylpentan-1-ol
CID 57023982
5,6-Diamino-3,5-dimethylhexan-2-ol
CID 57071620
4,5-Diamino-4-methylpentan-2-ol
CID 57105308

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-4-methylpentan-1-ol?
The IUPAC name of 4,5-diamino-4-methylpentan-1-ol (CID 57082030) is 4,5-diamino-4-methylpentan-1-ol.
What is the SMILES notation for 4,5-diamino-4-methylpentan-1-ol?
The canonical SMILES for 4,5-diamino-4-methylpentan-1-ol is CC(N)(CN)CCCO.
What is the InChIKey of 4,5-diamino-4-methylpentan-1-ol?
The InChIKey is AYFNCWDFVZHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(8,5-7)3-2-4-9/h9H,2-5,7-8H2,1H3.
What are the key properties of 4,5-diamino-4-methylpentan-1-ol?
4,5-diamino-4-methylpentan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-4-methylpentan-1-ol is sourced from PubChem (CID 57082030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).