5,5-diamino-2-propylpent-4-en-1-ol

C8H18N2O — CID 155659561

IUPAC5,5-diamino-2-propylpent-4-en-1-ol
SMILESCCCC(CO)CC=C(N)N
InChIInChI=1S/C8H18N2O/c1-2-3-7(6-11)4-5-8(9)10/h5,7,11H,2-4,6,9-10H2,1H3
InChIKeyXZJYWLXEMAUSMZ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.54
Rot. Bonds5

About 5,5-diamino-2-propylpent-4-en-1-ol

5,5-diamino-2-propylpent-4-en-1-ol (PubChem CID 155659561) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 5,5-diamino-2-propylpent-4-en-1-ol.

Molecular Properties

Compound Name5,5-diamino-2-propylpent-4-en-1-ol
PubChem CID155659561
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name5,5-diamino-2-propylpent-4-en-1-ol
SMILESCCCC(CO)CC=C(N)N
InChIInChI=1S/C8H18N2O/c1-2-3-7(6-11)4-5-8(9)10/h5,7,11H,2-4,6,9-10H2,1H3
InChIKeyXZJYWLXEMAUSMZ-UHFFFAOYSA-N
XLogP0.54
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-propylpent-4-en-1-ol
CID 15525342
(2R)-2-propylpent-4-en-1-ol
CID 102443891
4,8-bis(hydroxymethyl)undecan-6-one
CID 174613691
(E)-2-propyldec-7-en-1-ol
CID 23074704
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
(2S)-2-propyldecan-1-ol
CID 10176571
2-propylheptadecan-1-ol
CID 137441509
2-propyldodecan-1-ol
CID 14438908
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
2-(aminomethyl)-4-bromoheptan-1-ol
CID 166967667
(2S)-2-propylheptane-1,7-diol
CID 118890038

Frequently Asked Questions

What is the IUPAC name of 5,5-diamino-2-propylpent-4-en-1-ol?
The IUPAC name of 5,5-diamino-2-propylpent-4-en-1-ol (CID 155659561) is 5,5-diamino-2-propylpent-4-en-1-ol.
What is the SMILES notation for 5,5-diamino-2-propylpent-4-en-1-ol?
The canonical SMILES for 5,5-diamino-2-propylpent-4-en-1-ol is CCCC(CO)CC=C(N)N.
What is the InChIKey of 5,5-diamino-2-propylpent-4-en-1-ol?
The InChIKey is XZJYWLXEMAUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-3-7(6-11)4-5-8(9)10/h5,7,11H,2-4,6,9-10H2,1H3.
What are the key properties of 5,5-diamino-2-propylpent-4-en-1-ol?
5,5-diamino-2-propylpent-4-en-1-ol has a molecular weight of 158.25 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diamino-2-propylpent-4-en-1-ol is sourced from PubChem (CID 155659561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).