2-methylidene-N-(2-phenylpropyl)butan-1-amine

C14H21N — CID 104591378

IUPAC2-methylidene-N-(2-phenylpropyl)butan-1-amine
SMILESC=C(CC)CNCC(C)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-12(2)10-15-11-13(3)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3
InChIKeyNFRRTMSIQKDOJC-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.35
Rot. Bonds6

About 2-methylidene-N-(2-phenylpropyl)butan-1-amine

2-methylidene-N-(2-phenylpropyl)butan-1-amine (PubChem CID 104591378) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methylidene-N-(2-phenylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(2-phenylpropyl)butan-1-amine
PubChem CID104591378
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methylidene-N-(2-phenylpropyl)butan-1-amine
SMILESC=C(CC)CNCC(C)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-12(2)10-15-11-13(3)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3
InChIKeyNFRRTMSIQKDOJC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-phenylpropyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(2-phenylpropyl)butan-1-amine (CID 104591378) is 2-methylidene-N-(2-phenylpropyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(2-phenylpropyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(2-phenylpropyl)butan-1-amine is C=C(CC)CNCC(C)c1ccccc1.
What is the InChIKey of 2-methylidene-N-(2-phenylpropyl)butan-1-amine?
The InChIKey is NFRRTMSIQKDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-12(2)10-15-11-13(3)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3.
What are the key properties of 2-methylidene-N-(2-phenylpropyl)butan-1-amine?
2-methylidene-N-(2-phenylpropyl)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-phenylpropyl)butan-1-amine is sourced from PubChem (CID 104591378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).