amino-(4-aminocyclohexyl)carbamic acid

C7H15N3O2 — CID 151916976

IUPACamino-(4-aminocyclohexyl)carbamic acid
SMILESNC1CCC(N(N)C(=O)O)CC1
InChIInChI=1S/C7H15N3O2/c8-5-1-3-6(4-2-5)10(9)7(11)12/h5-6H,1-4,8-9H2,(H,11,12)
InChIKeySVYSFDBTTXEXNF-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.11
Rot. Bonds1

About amino-(4-aminocyclohexyl)carbamic acid

amino-(4-aminocyclohexyl)carbamic acid (PubChem CID 151916976) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is amino-(4-aminocyclohexyl)carbamic acid.

Molecular Properties

Compound Nameamino-(4-aminocyclohexyl)carbamic acid
PubChem CID151916976
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Nameamino-(4-aminocyclohexyl)carbamic acid
SMILESNC1CCC(N(N)C(=O)O)CC1
InChIInChI=1S/C7H15N3O2/c8-5-1-3-6(4-2-5)10(9)7(11)12/h5-6H,1-4,8-9H2,(H,11,12)
InChIKeySVYSFDBTTXEXNF-UHFFFAOYSA-N
XLogP0.11
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(4-aminocyclohexyl)carbamic acid?
The IUPAC name of amino-(4-aminocyclohexyl)carbamic acid (CID 151916976) is amino-(4-aminocyclohexyl)carbamic acid.
What is the SMILES notation for amino-(4-aminocyclohexyl)carbamic acid?
The canonical SMILES for amino-(4-aminocyclohexyl)carbamic acid is NC1CCC(N(N)C(=O)O)CC1.
What is the InChIKey of amino-(4-aminocyclohexyl)carbamic acid?
The InChIKey is SVYSFDBTTXEXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-5-1-3-6(4-2-5)10(9)7(11)12/h5-6H,1-4,8-9H2,(H,11,12).
What are the key properties of amino-(4-aminocyclohexyl)carbamic acid?
amino-(4-aminocyclohexyl)carbamic acid has a molecular weight of 173.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-aminocyclohexyl)carbamic acid is sourced from PubChem (CID 151916976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).