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

C14H21N — CID 116517331

IUPAC3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(C)CC(N)C1CC1c1ccccc1
InChIInChI=1S/C14H21N/c1-10(2)8-14(15)13-9-12(13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9,15H2,1-2H3
InChIKeyOXDBOUHXTCSCEK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds4

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

3-methyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116517331) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116517331
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(C)CC(N)C1CC1c1ccccc1
InChIInChI=1S/C14H21N/c1-10(2)8-14(15)13-9-12(13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9,15H2,1-2H3
InChIKeyOXDBOUHXTCSCEK-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 116517331) is 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine is CC(C)CC(N)C1CC1c1ccccc1.
What is the InChIKey of 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is OXDBOUHXTCSCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)8-14(15)13-9-12(13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9,15H2,1-2H3.
What are the key properties of 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116517331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).