3-(2-aminoethyl)-1-cycloheptyl-1-methylurea

C11H23N3O — CID 82508731

IUPAC3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
SMILESCN(C(=O)NCCN)C1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-14(11(15)13-9-8-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyVATKKARODITVBD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea

3-(2-aminoethyl)-1-cycloheptyl-1-methylurea (PubChem CID 82508731) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
PubChem CID82508731
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
SMILESCN(C(=O)NCCN)C1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-14(11(15)13-9-8-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyVATKKARODITVBD-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62669199
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
4-amino-N-cyclohexyl-N,2-dimethylbutanamide
CID 80542163
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072
1-cyclopropyl-3-(2-hydroxyethyl)-1-methylurea
CID 131224318
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
4-amino-N-cyclopentyl-N,2-dimethylbutanamide
CID 80542011

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea?
The IUPAC name of 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea (CID 82508731) is 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea.
What is the SMILES notation for 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea?
The canonical SMILES for 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea is CN(C(=O)NCCN)C1CCCCCC1.
What is the InChIKey of 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea?
The InChIKey is VATKKARODITVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(11(15)13-9-8-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea?
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea has a molecular weight of 213.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-cycloheptyl-1-methylurea is sourced from PubChem (CID 82508731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).