N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine

C28H37N — CID 59845327

IUPACN,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine
SMILESC(=C(c1ccccc1)c1ccccc1)N(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C28H37N/c1-5-13-24(14-6-1)21-29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h3-4,9-12,17-20,23-25H,1-2,5-8,13-16,21-22H2
InChIKeyNWOGONWVFWWBEO-UHFFFAOYSA-N
MW387.61 g/mol
LogP7.54
Rot. Bonds7

About N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine

N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine (PubChem CID 59845327) has the molecular formula C28H37N and a molecular weight of 387.61 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine
PubChem CID59845327
Molecular FormulaC28H37N
Molecular Weight387.61 g/mol
Exact Mass387.29
IUPAC NameN,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine
SMILESC(=C(c1ccccc1)c1ccccc1)N(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C28H37N/c1-5-13-24(14-6-1)21-29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h3-4,9-12,17-20,23-25H,1-2,5-8,13-16,21-22H2
InChIKeyNWOGONWVFWWBEO-UHFFFAOYSA-N
XLogP7.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine?
The IUPAC name of N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine (CID 59845327) is N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine is C(=C(c1ccccc1)c1ccccc1)N(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine?
The InChIKey is NWOGONWVFWWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N/c1-5-13-24(14-6-1)21-29(22-25-15-7-2-8-16-25)23-28(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h3-4,9-12,17-20,23-25H,1-2,5-8,13-16,21-22H2.
What are the key properties of N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine?
N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine has a molecular weight of 387.61 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine is sourced from PubChem (CID 59845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).