3-tert-butyl-N-(cyclopropylmethyl)aniline

C14H21N — CID 139034986

IUPAC3-tert-butyl-N-(cyclopropylmethyl)aniline
SMILESCC(C)(C)c1cccc(NCC2CC2)c1
InChIInChI=1S/C14H21N/c1-14(2,3)12-5-4-6-13(9-12)15-10-11-7-8-11/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyBICGWBFHCNXQPD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.81
Rot. Bonds3

About 3-tert-butyl-N-(cyclopropylmethyl)aniline

3-tert-butyl-N-(cyclopropylmethyl)aniline (PubChem CID 139034986) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-tert-butyl-N-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name3-tert-butyl-N-(cyclopropylmethyl)aniline
PubChem CID139034986
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-tert-butyl-N-(cyclopropylmethyl)aniline
SMILESCC(C)(C)c1cccc(NCC2CC2)c1
InChIInChI=1S/C14H21N/c1-14(2,3)12-5-4-6-13(9-12)15-10-11-7-8-11/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyBICGWBFHCNXQPD-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
3-tert-butyl-N-cyclopentylaniline
CID 176880114
N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 167360160
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
3-tert-butyl-N-prop-2-enylaniline
CID 171478062
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)aniline?
The IUPAC name of 3-tert-butyl-N-(cyclopropylmethyl)aniline (CID 139034986) is 3-tert-butyl-N-(cyclopropylmethyl)aniline.
What is the SMILES notation for 3-tert-butyl-N-(cyclopropylmethyl)aniline?
The canonical SMILES for 3-tert-butyl-N-(cyclopropylmethyl)aniline is CC(C)(C)c1cccc(NCC2CC2)c1.
What is the InChIKey of 3-tert-butyl-N-(cyclopropylmethyl)aniline?
The InChIKey is BICGWBFHCNXQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)12-5-4-6-13(9-12)15-10-11-7-8-11/h4-6,9,11,15H,7-8,10H2,1-3H3.
What are the key properties of 3-tert-butyl-N-(cyclopropylmethyl)aniline?
3-tert-butyl-N-(cyclopropylmethyl)aniline has a molecular weight of 203.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(cyclopropylmethyl)aniline is sourced from PubChem (CID 139034986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).