2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine

C18H29N — CID 116518633

IUPAC2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)C1CC1c1ccccc1
InChIInChI=1S/C18H29N/c1-13(2)11-19-12-14(3)15(4)17-10-18(17)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3
InChIKeyOCTFGRBSAZMPSS-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.31
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine

2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116518633) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116518633
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)C1CC1c1ccccc1
InChIInChI=1S/C18H29N/c1-13(2)11-19-12-14(3)15(4)17-10-18(17)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3
InChIKeyOCTFGRBSAZMPSS-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylpropyl)-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518003
N-tert-butyl-2-methyl-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518632
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
N-ethyl-2-phenyl-2-(2-phenylcyclopropyl)ethanamine
CID 116518116
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
2-(2-phenylcyclopropyl)-N-propylbutan-1-amine
CID 116518006
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine (CID 116518633) is 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine is CC(C)CNCC(C)C(C)C1CC1c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is OCTFGRBSAZMPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)11-19-12-14(3)15(4)17-10-18(17)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).