1,3-bis[4-(methylideneamino)cyclohexyl]urea

C15H26N4O — CID 58025021

IUPAC1,3-bis[4-(methylideneamino)cyclohexyl]urea
SMILESC=NC1CCC(NC(=O)NC2CCC(N=C)CC2)CC1
InChIInChI=1S/C15H26N4O/c1-16-11-3-7-13(8-4-11)18-15(20)19-14-9-5-12(17-2)6-10-14/h11-14H,1-10H2,(H2,18,19,20)
InChIKeyIXWHICOQKTXIHA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.31
Rot. Bonds4

About 1,3-bis[4-(methylideneamino)cyclohexyl]urea

1,3-bis[4-(methylideneamino)cyclohexyl]urea (PubChem CID 58025021) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,3-bis[4-(methylideneamino)cyclohexyl]urea.

Molecular Properties

Compound Name1,3-bis[4-(methylideneamino)cyclohexyl]urea
PubChem CID58025021
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1,3-bis[4-(methylideneamino)cyclohexyl]urea
SMILESC=NC1CCC(NC(=O)NC2CCC(N=C)CC2)CC1
InChIInChI=1S/C15H26N4O/c1-16-11-3-7-13(8-4-11)18-15(20)19-14-9-5-12(17-2)6-10-14/h11-14H,1-10H2,(H2,18,19,20)
InChIKeyIXWHICOQKTXIHA-UHFFFAOYSA-N
XLogP2.31
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
CID 138714983
N-methyl-4-(methylideneamino)cyclohexan-1-amine
CID 139444737
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
1-cyclobutyl-3-cyclohexylurea
CID 17217147
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
1-(3-aminocyclobutyl)-3-cyclopropylurea
CID 62700809
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
1-cyclopropyl-3-(1-oxothian-4-yl)urea
CID 104594564
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
N-ethyl-4-(methylideneamino)cyclohexan-1-amine
CID 177002931
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(methylideneamino)cyclohexyl]urea?
The IUPAC name of 1,3-bis[4-(methylideneamino)cyclohexyl]urea (CID 58025021) is 1,3-bis[4-(methylideneamino)cyclohexyl]urea.
What is the SMILES notation for 1,3-bis[4-(methylideneamino)cyclohexyl]urea?
The canonical SMILES for 1,3-bis[4-(methylideneamino)cyclohexyl]urea is C=NC1CCC(NC(=O)NC2CCC(N=C)CC2)CC1.
What is the InChIKey of 1,3-bis[4-(methylideneamino)cyclohexyl]urea?
The InChIKey is IXWHICOQKTXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-16-11-3-7-13(8-4-11)18-15(20)19-14-9-5-12(17-2)6-10-14/h11-14H,1-10H2,(H2,18,19,20).
What are the key properties of 1,3-bis[4-(methylideneamino)cyclohexyl]urea?
1,3-bis[4-(methylideneamino)cyclohexyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(methylideneamino)cyclohexyl]urea is sourced from PubChem (CID 58025021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).