2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine

C17H27N — CID 79351956

IUPAC2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
SMILESCC(CCNC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C17H27N/c1-13(14-9-7-6-8-10-14)11-12-18-15-16(2,3)17(15,4)5/h6-10,13,15,18H,11-12H2,1-5H3
InChIKeyOHFWNXBOMNETOQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.20
Rot. Bonds5

About 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine

2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine (PubChem CID 79351956) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
PubChem CID79351956
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
SMILESCC(CCNC1C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C17H27N/c1-13(14-9-7-6-8-10-14)11-12-18-15-16(2,3)17(15,4)5/h6-10,13,15,18H,11-12H2,1-5H3
InChIKeyOHFWNXBOMNETOQ-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
CID 79351012
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
N-(3-phenylbutyl)spiro[3.5]nonan-3-amine
CID 102951873
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
N-(3-phenylbutyl)thian-3-amine
CID 62988894
2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine (CID 79351956) is 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine is CC(CCNC1C(C)(C)C1(C)C)c1ccccc1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine?
The InChIKey is OHFWNXBOMNETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(14-9-7-6-8-10-14)11-12-18-15-16(2,3)17(15,4)5/h6-10,13,15,18H,11-12H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 79351956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).