N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide

C14H26N4O — CID 79155604

IUPACN-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCC2)CCC(CC)CC1
InChIInChI=1S/C14H26N4O/c1-2-11-5-7-14(8-6-11,12(15)16)17-13(19)18-9-3-4-10-18/h11H,2-10H2,1H3,(H3,15,16)(H,17,19)
InChIKeyXZXPHDNHEVVKSE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.07
Rot. Bonds3

About N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide

N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 79155604) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide
PubChem CID79155604
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCC2)CCC(CC)CC1
InChIInChI=1S/C14H26N4O/c1-2-11-5-7-14(8-6-11,12(15)16)17-13(19)18-9-3-4-10-18/h11H,2-10H2,1H3,(H3,15,16)(H,17,19)
InChIKeyXZXPHDNHEVVKSE-UHFFFAOYSA-N
XLogP2.07
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide (CID 79155604) is N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide is [H]/N=C(\N)C1(NC(=O)N2CCCC2)CCC(CC)CC1.
What is the InChIKey of N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is XZXPHDNHEVVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-11-5-7-14(8-6-11,12(15)16)17-13(19)18-9-3-4-10-18/h11H,2-10H2,1H3,(H3,15,16)(H,17,19).
What are the key properties of N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide?
N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamimidoyl-4-ethylcyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79155604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).