4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide

C11H22N4O — CID 62363981

IUPAC4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
SMILESCCC/N=C(\N)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N4O/c1-2-7-14-11(13)15-9-5-3-8(4-6-9)10(12)16/h8-9H,2-7H2,1H3,(H2,12,16)(H3,13,14,15)
InChIKeyFBXYZHKKKRTPKJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds4

About 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide

4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide (PubChem CID 62363981) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
PubChem CID62363981
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
SMILESCCC/N=C(\N)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N4O/c1-2-7-14-11(13)15-9-5-3-8(4-6-9)10(12)16/h8-9H,2-7H2,1H3,(H2,12,16)(H3,13,14,15)
InChIKeyFBXYZHKKKRTPKJ-UHFFFAOYSA-N
XLogP0.34
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-dioxothian-4-yl)-2-propylguanidine
CID 62364853
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 62363794
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 115600945
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
CID 110930156
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881

Frequently Asked Questions

What is the IUPAC name of 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide (CID 62363981) is 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide is CCC/N=C(\N)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide?
The InChIKey is FBXYZHKKKRTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-7-14-11(13)15-9-5-3-8(4-6-9)10(12)16/h8-9H,2-7H2,1H3,(H2,12,16)(H3,13,14,15).
What are the key properties of 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide?
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 62363981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).