3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine

C17H27N — CID 105028477

IUPAC3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCC(CC)CC(NC)C1CC1c1ccccc1
InChIInChI=1S/C17H27N/c1-4-13(5-2)11-17(18-3)16-12-15(16)14-9-7-6-8-10-14/h6-10,13,15-18H,4-5,11-12H2,1-3H3
InChIKeyQABGMZGMZIQJKD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.20
Rot. Bonds7

About 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine

3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine (PubChem CID 105028477) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
PubChem CID105028477
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCC(CC)CC(NC)C1CC1c1ccccc1
InChIInChI=1S/C17H27N/c1-4-13(5-2)11-17(18-3)16-12-15(16)14-9-7-6-8-10-14/h6-10,13,15-18H,4-5,11-12H2,1-3H3
InChIKeyQABGMZGMZIQJKD-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine (CID 105028477) is 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine is CCC(CC)CC(NC)C1CC1c1ccccc1.
What is the InChIKey of 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The InChIKey is QABGMZGMZIQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-13(5-2)11-17(18-3)16-12-15(16)14-9-7-6-8-10-14/h6-10,13,15-18H,4-5,11-12H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine is sourced from PubChem (CID 105028477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).