1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea

C13H27N3O — CID 79153945

IUPAC1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)16(11-7-10-14)12-8-5-3-4-6-9-12/h12H,3-11,14H2,1-2H3
InChIKeyZXMWPKCDXCQKFZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea

1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea (PubChem CID 79153945) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
PubChem CID79153945
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)16(11-7-10-14)12-8-5-3-4-6-9-12/h12H,3-11,14H2,1-2H3
InChIKeyZXMWPKCDXCQKFZ-UHFFFAOYSA-N
XLogP2.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
CID 43319428
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
CID 79154786
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
CID 43319420
N-(3-aminopropyl)-N-cycloheptyl-2-propylpentanamide
CID 82984278

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea?
The IUPAC name of 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea (CID 79153945) is 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea is CN(C)C(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea?
The InChIKey is ZXMWPKCDXCQKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)13(17)16(11-7-10-14)12-8-5-3-4-6-9-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea?
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea has a molecular weight of 241.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea is sourced from PubChem (CID 79153945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).