N,4-ditert-butyl-2-cyclopropylaniline

C17H27N — CID 130287728

IUPACN,4-ditert-butyl-2-cyclopropylaniline
SMILESCC(C)(C)Nc1ccc(C(C)(C)C)cc1C1CC1
InChIInChI=1S/C17H27N/c1-16(2,3)13-9-10-15(18-17(4,5)6)14(11-13)12-7-8-12/h9-12,18H,7-8H2,1-6H3
InChIKeyTXPAWHYZNDCIDZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.07
Rot. Bonds2

About N,4-ditert-butyl-2-cyclopropylaniline

N,4-ditert-butyl-2-cyclopropylaniline (PubChem CID 130287728) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,4-ditert-butyl-2-cyclopropylaniline.

Molecular Properties

Compound NameN,4-ditert-butyl-2-cyclopropylaniline
PubChem CID130287728
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,4-ditert-butyl-2-cyclopropylaniline
SMILESCC(C)(C)Nc1ccc(C(C)(C)C)cc1C1CC1
InChIInChI=1S/C17H27N/c1-16(2,3)13-9-10-15(18-17(4,5)6)14(11-13)12-7-8-12/h9-12,18H,7-8H2,1-6H3
InChIKeyTXPAWHYZNDCIDZ-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 122594497
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4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
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4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
7-tert-butyl-N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 84632092
3-cyclopropyl-4-(methylamino)benzoic acid
CID 176970275
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383373
3-N-(4-tert-butyl-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134478
N-(bromomethyl)-4-tert-butyl-2-methylaniline
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4-acetamido-3-cyclopropylbenzoic acid
CID 167726350

Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butyl-2-cyclopropylaniline?
The IUPAC name of N,4-ditert-butyl-2-cyclopropylaniline (CID 130287728) is N,4-ditert-butyl-2-cyclopropylaniline.
What is the SMILES notation for N,4-ditert-butyl-2-cyclopropylaniline?
The canonical SMILES for N,4-ditert-butyl-2-cyclopropylaniline is CC(C)(C)Nc1ccc(C(C)(C)C)cc1C1CC1.
What is the InChIKey of N,4-ditert-butyl-2-cyclopropylaniline?
The InChIKey is TXPAWHYZNDCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-16(2,3)13-9-10-15(18-17(4,5)6)14(11-13)12-7-8-12/h9-12,18H,7-8H2,1-6H3.
What are the key properties of N,4-ditert-butyl-2-cyclopropylaniline?
N,4-ditert-butyl-2-cyclopropylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-2-cyclopropylaniline is sourced from PubChem (CID 130287728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).