N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine

C15H21N — CID 118718807

IUPACN-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine
SMILESCC=C=CCN(C)C[C@H](C)c1ccccc1
InChIInChI=1S/C15H21N/c1-4-5-9-12-16(3)13-14(2)15-10-7-6-8-11-15/h4,6-11,14H,12-13H2,1-3H3/t5?,14-/m0/s1
InChIKeyPFXZUGUEBVGVBF-JRFFMEPESA-N
MW215.34 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine

N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine (PubChem CID 118718807) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine
PubChem CID118718807
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine
SMILESCC=C=CCN(C)C[C@H](C)c1ccccc1
InChIInChI=1S/C15H21N/c1-4-5-9-12-16(3)13-14(2)15-10-7-6-8-11-15/h4,6-11,14H,12-13H2,1-3H3/t5?,14-/m0/s1
InChIKeyPFXZUGUEBVGVBF-JRFFMEPESA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine?
The IUPAC name of N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine (CID 118718807) is N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine is CC=C=CCN(C)C[C@H](C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine?
The InChIKey is PFXZUGUEBVGVBF-JRFFMEPESA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-9-12-16(3)13-14(2)15-10-7-6-8-11-15/h4,6-11,14H,12-13H2,1-3H3/t5?,14-/m0/s1.
What are the key properties of N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine?
N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-phenylpropyl]penta-2,3-dien-1-amine is sourced from PubChem (CID 118718807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).