1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea

C11H18N2O — CID 163562120

IUPAC1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea
SMILESC=NC(=O)N=CCC(C(C)C)C1CC1
InChIInChI=1S/C11H18N2O/c1-8(2)10(9-4-5-9)6-7-13-11(14)12-3/h7-10H,3-6H2,1-2H3
InChIKeyFSCLCTNFFUZEPZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea

1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea (PubChem CID 163562120) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea.

Molecular Properties

Compound Name1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea
PubChem CID163562120
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea
SMILESC=NC(=O)N=CCC(C(C)C)C1CC1
InChIInChI=1S/C11H18N2O/c1-8(2)10(9-4-5-9)6-7-13-11(14)12-3/h7-10H,3-6H2,1-2H3
InChIKeyFSCLCTNFFUZEPZ-UHFFFAOYSA-N
XLogP2.95
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-4-methylpentanal
CID 83826246
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
CID 166777668
4-cyclopropyl-3-methylheptan-2-one
CID 166116271
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
CID 43569337
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
4-cyclopentyl-2-ethylidene-N,N,5-trimethylhexanamide
CID 123723780
(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
CID 59143625
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-methyl-1-(thian-4-yl)butan-2-ol
CID 105133542
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea?
The IUPAC name of 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea (CID 163562120) is 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea.
What is the SMILES notation for 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea?
The canonical SMILES for 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea is C=NC(=O)N=CCC(C(C)C)C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea?
The InChIKey is FSCLCTNFFUZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)10(9-4-5-9)6-7-13-11(14)12-3/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea?
1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea has a molecular weight of 194.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-4-methylpentylidene)-3-methylideneurea is sourced from PubChem (CID 163562120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).