2-cyclopropyl-N-prop-1-en-2-ylaniline

C12H15N — CID 142442093

IUPAC2-cyclopropyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccccc1C1CC1
InChIInChI=1S/C12H15N/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13H,1,7-8H2,2H3
InChIKeyYUNZRPXMVKECBD-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.51
Rot. Bonds3

About 2-cyclopropyl-N-prop-1-en-2-ylaniline

2-cyclopropyl-N-prop-1-en-2-ylaniline (PubChem CID 142442093) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-cyclopropyl-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-cyclopropyl-N-prop-1-en-2-ylaniline
PubChem CID142442093
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-cyclopropyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1ccccc1C1CC1
InChIInChI=1S/C12H15N/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13H,1,7-8H2,2H3
InChIKeyYUNZRPXMVKECBD-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclopentylphenyl)thiourea
CID 123980328
(2-cyclopentylphenyl)urea
CID 154512225
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
N-(2-cyclohexylphenyl)hydroxylamine
CID 152573071
1-(2-cyclopropylphenyl)-3-(2,2-difluoroethyl)urea
CID 72880848
N-(2-piperidin-2-ylphenyl)acetamide
CID 83404303
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804
N-(2-cyclopent-2-en-1-ylphenyl)acetamide
CID 14381648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-prop-1-en-2-ylaniline?
The IUPAC name of 2-cyclopropyl-N-prop-1-en-2-ylaniline (CID 142442093) is 2-cyclopropyl-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-cyclopropyl-N-prop-1-en-2-ylaniline?
The canonical SMILES for 2-cyclopropyl-N-prop-1-en-2-ylaniline is C=C(C)Nc1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-prop-1-en-2-ylaniline?
The InChIKey is YUNZRPXMVKECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,10,13H,1,7-8H2,2H3.
What are the key properties of 2-cyclopropyl-N-prop-1-en-2-ylaniline?
2-cyclopropyl-N-prop-1-en-2-ylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 142442093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).