1-(2-aminocycloheptyl)-3-propylurea

C11H23N3O — CID 63258563

IUPAC1-(2-aminocycloheptyl)-3-propylurea
SMILESCCCNC(=O)NC1CCCCCC1N
InChIInChI=1S/C11H23N3O/c1-2-8-13-11(15)14-10-7-5-3-4-6-9(10)12/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyOUXAKBYDSSRIGT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-aminocycloheptyl)-3-propylurea

1-(2-aminocycloheptyl)-3-propylurea (PubChem CID 63258563) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-3-propylurea
PubChem CID63258563
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-aminocycloheptyl)-3-propylurea
SMILESCCCNC(=O)NC1CCCCCC1N
InChIInChI=1S/C11H23N3O/c1-2-8-13-11(15)14-10-7-5-3-4-6-9(10)12/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyOUXAKBYDSSRIGT-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
1-cyclopentyl-3-propylurea
CID 14343339
N-(2-aminocyclohexyl)propanamide
CID 61036997
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
1-[(1R,2R)-2-aminocyclohexyl]-3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]urea
CID 128888390
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-3-propylurea?
The IUPAC name of 1-(2-aminocycloheptyl)-3-propylurea (CID 63258563) is 1-(2-aminocycloheptyl)-3-propylurea.
What is the SMILES notation for 1-(2-aminocycloheptyl)-3-propylurea?
The canonical SMILES for 1-(2-aminocycloheptyl)-3-propylurea is CCCNC(=O)NC1CCCCCC1N.
What is the InChIKey of 1-(2-aminocycloheptyl)-3-propylurea?
The InChIKey is OUXAKBYDSSRIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-8-13-11(15)14-10-7-5-3-4-6-9(10)12/h9-10H,2-8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-aminocycloheptyl)-3-propylurea?
1-(2-aminocycloheptyl)-3-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-3-propylurea is sourced from PubChem (CID 63258563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).