[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid

C9H19N3O2 — CID 91112356

IUPAC[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid
SMILESNCC(N)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c10-5-8(11)6-1-3-7(4-2-6)12-9(13)14/h6-8,12H,1-5,10-11H2,(H,13,14)
InChIKeyCWKIYDDOFJUEIS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.10
Rot. Bonds3

About [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid

[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid (PubChem CID 91112356) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid
PubChem CID91112356
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid
SMILESNCC(N)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c10-5-8(11)6-1-3-7(4-2-6)12-9(13)14/h6-8,12H,1-5,10-11H2,(H,13,14)
InChIKeyCWKIYDDOFJUEIS-UHFFFAOYSA-N
XLogP0.10
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
(4-iodocyclohexyl)carbamic acid
CID 68625935
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
(4-ethynylcyclohexyl)carbamic acid
CID 90421089
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
cyclohexylcarbamic acid;hydrate
CID 172719994
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid (CID 91112356) is [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid is NCC(N)C1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid?
The InChIKey is CWKIYDDOFJUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-5-8(11)6-1-3-7(4-2-6)12-9(13)14/h6-8,12H,1-5,10-11H2,(H,13,14).
What are the key properties of [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid?
[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid has a molecular weight of 201.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-diaminoethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 91112356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).