(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine

C21H25N — CID 6479513

IUPAC(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine
SMILESCCCCC#C/C=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H25N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h8-16H,3-5,17-18H2,1-2H3/b11-8+
InChIKeyPIOAVCMVBRSEKY-DHZHZOJOSA-N
MW291.44 g/mol
LogP5.02
Rot. Bonds6

About (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine

(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine (PubChem CID 6479513) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine
PubChem CID6479513
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine
SMILESCCCCC#C/C=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H25N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h8-16H,3-5,17-18H2,1-2H3/b11-8+
InChIKeyPIOAVCMVBRSEKY-DHZHZOJOSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine?
The IUPAC name of (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine (CID 6479513) is (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine?
The canonical SMILES for (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine is CCCCC#C/C=C/CN(C)Cc1cccc2ccccc12.
What is the InChIKey of (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine?
The InChIKey is PIOAVCMVBRSEKY-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H25N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h8-16H,3-5,17-18H2,1-2H3/b11-8+.
What are the key properties of (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine?
(E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(naphthalen-1-ylmethyl)non-2-en-4-yn-1-amine is sourced from PubChem (CID 6479513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).