N-(1-cyclopropylethyl)-N-methylaniline

C12H17N — CID 134851823

IUPACN-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(11-8-9-11)13(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyVXABAJKDIWLTQC-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.92
Rot. Bonds3

About N-(1-cyclopropylethyl)-N-methylaniline

N-(1-cyclopropylethyl)-N-methylaniline (PubChem CID 134851823) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methylaniline
PubChem CID134851823
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(1-cyclopropylethyl)-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(11-8-9-11)13(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyVXABAJKDIWLTQC-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-cyclopropylethyl(methyl)amino]benzoic acid
CID 102822708
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 114066044
N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
(2S)-2-(N-methylanilino)propanal
CID 21019512
4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 43569490
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
3-[cyclopropyl-(N-methylanilino)methyl]aniline
CID 82024532
2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
CID 42108646
6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 63588402

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methylaniline?
The IUPAC name of N-(1-cyclopropylethyl)-N-methylaniline (CID 134851823) is N-(1-cyclopropylethyl)-N-methylaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methylaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methylaniline is CC(C1CC1)N(C)c1ccccc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methylaniline?
The InChIKey is VXABAJKDIWLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(11-8-9-11)13(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methylaniline?
N-(1-cyclopropylethyl)-N-methylaniline has a molecular weight of 175.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methylaniline is sourced from PubChem (CID 134851823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).