N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine

C16H25N — CID 116518083

IUPACN-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNCC(C)(CC)C1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-4-16(3,12-17-5-2)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3
InChIKeySAGRGYDGMCGNRA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine

N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116518083) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116518083
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNCC(C)(CC)C1CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-4-16(3,12-17-5-2)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3
InChIKeySAGRGYDGMCGNRA-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine
CID 116518067
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
2-phenyl-2-(2-phenylcyclopropyl)butan-1-ol
CID 116518430
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
N-ethyl-2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62255996
N-ethyl-2-phenyl-2-(2-phenylcyclopropyl)ethanamine
CID 116518116
2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine
CID 116518136
2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116759060
(2-ethylsulfanylcyclopropyl)benzene
CID 123588085
N-ethyl-N'-methyl-N'-[(2-phenylcyclopropyl)methyl]ethane-1,2-diamine
CID 113409027
2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid
CID 116516649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine (CID 116518083) is N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine is CCNCC(C)(CC)C1CC1c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is SAGRGYDGMCGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-16(3,12-17-5-2)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15,17H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine?
N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116518083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).