N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine

C20H31N — CID 130381547

IUPACN-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)(C)NC1(c2cccc(C3(C(C)(C)C)CC3)c2)CC1
InChIInChI=1S/C20H31N/c1-17(2,3)19(10-11-19)15-8-7-9-16(14-15)20(12-13-20)21-18(4,5)6/h7-9,14,21H,10-13H2,1-6H3
InChIKeyNEFOUHYCEKEBIT-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.14
Rot. Bonds3

About N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine

N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 130381547) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID130381547
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)(C)NC1(c2cccc(C3(C(C)(C)C)CC3)c2)CC1
InChIInChI=1S/C20H31N/c1-17(2,3)19(10-11-19)15-8-7-9-16(14-15)20(12-13-20)21-18(4,5)6/h7-9,14,21H,10-13H2,1-6H3
InChIKeyNEFOUHYCEKEBIT-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-tert-butylcyclopropyl)-3-(3,3-dimethylbutyl)benzene
CID 162010246
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane
CID 59692125
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
2-[1-(3-methylphenyl)cyclopropyl]propan-2-amine
CID 83673809
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 172602253
4-(1-tert-butylcyclopropyl)pyridine
CID 59574595
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
CID 115041992
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
N-phosphanyl-1-[3-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
CID 144873874
N-(cyclopropylmethyl)-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 167360160

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine (CID 130381547) is N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine is CC(C)(C)NC1(c2cccc(C3(C(C)(C)C)CC3)c2)CC1.
What is the InChIKey of N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is NEFOUHYCEKEBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-17(2,3)19(10-11-19)15-8-7-9-16(14-15)20(12-13-20)21-18(4,5)6/h7-9,14,21H,10-13H2,1-6H3.
What are the key properties of N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine?
N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(1-tert-butylcyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 130381547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).