N-(1-cyclopropylpropyl)-3-propan-2-ylaniline

C15H23N — CID 64918380

IUPACN-(1-cyclopropylpropyl)-3-propan-2-ylaniline
SMILESCCC(Nc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C15H23N/c1-4-15(12-8-9-12)16-14-7-5-6-13(10-14)11(2)3/h5-7,10-12,15-16H,4,8-9H2,1-3H3
InChIKeyQBYHUQZVFWGWMU-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.41
Rot. Bonds5

About N-(1-cyclopropylpropyl)-3-propan-2-ylaniline

N-(1-cyclopropylpropyl)-3-propan-2-ylaniline (PubChem CID 64918380) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-propan-2-ylaniline
PubChem CID64918380
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(1-cyclopropylpropyl)-3-propan-2-ylaniline
SMILESCCC(Nc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C15H23N/c1-4-15(12-8-9-12)16-14-7-5-6-13(10-14)11(2)3/h5-7,10-12,15-16H,4,8-9H2,1-3H3
InChIKeyQBYHUQZVFWGWMU-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
2-(3-propan-2-ylanilino)butanamide
CID 62900215
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-propan-2-ylaniline?
The IUPAC name of N-(1-cyclopropylpropyl)-3-propan-2-ylaniline (CID 64918380) is N-(1-cyclopropylpropyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-propan-2-ylaniline is CCC(Nc1cccc(C(C)C)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-propan-2-ylaniline?
The InChIKey is QBYHUQZVFWGWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(12-8-9-12)16-14-7-5-6-13(10-14)11(2)3/h5-7,10-12,15-16H,4,8-9H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropyl)-3-propan-2-ylaniline?
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-propan-2-ylaniline is sourced from PubChem (CID 64918380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).