[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

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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).