4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane

C12H32N2O — CID 142843711

IUPAC4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane
SMILESCC.CC(C)C.CC(CO)CC(N)CN
InChIInChI=1S/C6H16N2O.C4H10.C2H6/c1-5(4-9)2-6(8)3-7;1-4(2)3;1-2/h5-6,9H,2-4,7-8H2,1H3;4H,1-3H3;1-2H3
InChIKeyAGOGBPPGCJHBPG-UHFFFAOYSA-N
MW220.40 g/mol
LogP1.98
Rot. Bonds4

About 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane

4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane (PubChem CID 142843711) has the molecular formula C12H32N2O and a molecular weight of 220.40 g/mol. Its IUPAC name is 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane.

Molecular Properties

Compound Name4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane
PubChem CID142843711
Molecular FormulaC12H32N2O
Molecular Weight220.40 g/mol
Exact Mass220.25
IUPAC Name4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane
SMILESCC.CC(C)C.CC(CO)CC(N)CN
InChIInChI=1S/C6H16N2O.C4H10.C2H6/c1-5(4-9)2-6(8)3-7;1-4(2)3;1-2/h5-6,9H,2-4,7-8H2,1H3;4H,1-3H3;1-2H3
InChIKeyAGOGBPPGCJHBPG-UHFFFAOYSA-N
XLogP1.98
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methylpentane-1,5-diol
CID 72526972
2,4-dimethylpentane-1,5-diol
CID 10964552
ethane;2-methylpropane-1,3-diol
CID 87127502
2-amino-4-methylhexan-1-ol;hydrochloride
CID 55253854
(4S)-2-methylpentane-1,4-diamine
CID 170201725
(3R)-5,6-diaminohexan-3-ol
CID 89425679
5-bromo-2-methylpentane-1,4-diol
CID 57216025
ethane;4-hydroxy-3-methylbutanamide
CID 170602711
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
palladium;propane-1,2-diamine
CID 87255476
ethanol;propane-1,2-diamine
CID 161334035
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane?
The IUPAC name of 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane (CID 142843711) is 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane.
What is the SMILES notation for 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane?
The canonical SMILES for 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane is CC.CC(C)C.CC(CO)CC(N)CN.
What is the InChIKey of 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane?
The InChIKey is AGOGBPPGCJHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C4H10.C2H6/c1-5(4-9)2-6(8)3-7;1-4(2)3;1-2/h5-6,9H,2-4,7-8H2,1H3;4H,1-3H3;1-2H3.
What are the key properties of 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane?
4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane has a molecular weight of 220.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-methylpentan-1-ol;ethane;2-methylpropane is sourced from PubChem (CID 142843711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).