1,5-diamino-2-ethyl-2-methylpentan-1-ol

C8H20N2O — CID 87944830

IUPAC1,5-diamino-2-ethyl-2-methylpentan-1-ol
SMILESCCC(C)(CCCN)C(N)O
InChIInChI=1S/C8H20N2O/c1-3-8(2,7(10)11)5-4-6-9/h7,11H,3-6,9-10H2,1-2H3
InChIKeyCFQAMKQZFOHGCE-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.42
Rot. Bonds5

About 1,5-diamino-2-ethyl-2-methylpentan-1-ol

1,5-diamino-2-ethyl-2-methylpentan-1-ol (PubChem CID 87944830) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,5-diamino-2-ethyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name1,5-diamino-2-ethyl-2-methylpentan-1-ol
PubChem CID87944830
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1,5-diamino-2-ethyl-2-methylpentan-1-ol
SMILESCCC(C)(CCCN)C(N)O
InChIInChI=1S/C8H20N2O/c1-3-8(2,7(10)11)5-4-6-9/h7,11H,3-6,9-10H2,1-2H3
InChIKeyCFQAMKQZFOHGCE-UHFFFAOYSA-N
XLogP0.42
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
CID 88936952
1,3-diamino-2-(aminomethyl)-2-methylpropan-1-ol;hydrate
CID 139628665
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
3-ethyl-3,8,8-trimethylnonan-4-ol
CID 156689455
2,6-diamino-4-(2-aminoethyl)-4-[amino(hydroxy)methyl]-2-ethyl-6-methylheptane-1,3,5-triol
CID 88727897
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
4,4-dimethylpentan-1-amine
CID 14454757
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
butan-1-amine;propan-2-ol
CID 174667581

Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-2-ethyl-2-methylpentan-1-ol?
The IUPAC name of 1,5-diamino-2-ethyl-2-methylpentan-1-ol (CID 87944830) is 1,5-diamino-2-ethyl-2-methylpentan-1-ol.
What is the SMILES notation for 1,5-diamino-2-ethyl-2-methylpentan-1-ol?
The canonical SMILES for 1,5-diamino-2-ethyl-2-methylpentan-1-ol is CCC(C)(CCCN)C(N)O.
What is the InChIKey of 1,5-diamino-2-ethyl-2-methylpentan-1-ol?
The InChIKey is CFQAMKQZFOHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-8(2,7(10)11)5-4-6-9/h7,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1,5-diamino-2-ethyl-2-methylpentan-1-ol?
1,5-diamino-2-ethyl-2-methylpentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2-ethyl-2-methylpentan-1-ol is sourced from PubChem (CID 87944830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).