(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

C23H29N — CID 6438340

IUPAC(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
SMILESCCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1
InChIInChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3/b13-10+
InChIKeyVCZSWYIFCKGTJI-JLHYYAGUSA-N
MW319.49 g/mol
LogP5.74
Rot. Bonds8

About (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine

(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine (PubChem CID 6438340) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
PubChem CID6438340
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
SMILESCCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1
InChIInChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3/b13-10+
InChIKeyVCZSWYIFCKGTJI-JLHYYAGUSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine?
The IUPAC name of (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine (CID 6438340) is (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine?
The canonical SMILES for (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine is CCC(C/C=C/c1ccccc1)(c1ccccc1)N(C)CC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine?
The InChIKey is VCZSWYIFCKGTJI-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3/b13-10+.
What are the key properties of (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine?
(E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine has a molecular weight of 319.49 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine is sourced from PubChem (CID 6438340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).