4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide

C10H20N4O2 — CID 81433162

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)NCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C10H20N4O2/c11-8-3-1-7(2-4-8)9(15)13-5-6-14-10(12)16/h7-8H,1-6,11H2,(H,13,15)(H3,12,14,16)
InChIKeyQGLPAAVPUUNBJN-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.71
Rot. Bonds4

About 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 81433162) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID81433162
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
SMILESNC(=O)NCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C10H20N4O2/c11-8-3-1-7(2-4-8)9(15)13-5-6-14-10(12)16/h7-8H,1-6,11H2,(H,13,15)(H3,12,14,16)
InChIKeyQGLPAAVPUUNBJN-UHFFFAOYSA-N
XLogP-0.71
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
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3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide (CID 81433162) is 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide is NC(=O)NCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QGLPAAVPUUNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c11-8-3-1-7(2-4-8)9(15)13-5-6-14-10(12)16/h7-8H,1-6,11H2,(H,13,15)(H3,12,14,16).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).