(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine

C27H37N — CID 6434916

IUPAC(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C27H37N/c1-22(2)11-8-12-23(3)13-9-14-24(4)19-20-28(5)21-26-17-10-16-25-15-6-7-18-27(25)26/h6-7,10-11,13,15-19H,8-9,12,14,20-21H2,1-5H3/b23-13+,24-19+
InChIKeyXCXNBOKXHRHHAD-JUDCTDMSSA-N
MW375.60 g/mol
LogP7.69
Rot. Bonds10

About (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine

(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine (PubChem CID 6434916) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine
PubChem CID6434916
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC Name(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C27H37N/c1-22(2)11-8-12-23(3)13-9-14-24(4)19-20-28(5)21-26-17-10-16-25-15-6-7-18-27(25)26/h6-7,10-11,13,15-19H,8-9,12,14,20-21H2,1-5H3/b23-13+,24-19+
InChIKeyXCXNBOKXHRHHAD-JUDCTDMSSA-N
XLogP7.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.69
H-Bond Donors ≤ 50
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 (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine (CID 6434916) is (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN(C)Cc1cccc2ccccc12.
What is the InChIKey of (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine?
The InChIKey is XCXNBOKXHRHHAD-JUDCTDMSSA-N. The full InChI is InChI=1S/C27H37N/c1-22(2)11-8-12-23(3)13-9-14-24(4)19-20-28(5)21-26-17-10-16-25-15-6-7-18-27(25)26/h6-7,10-11,13,15-19H,8-9,12,14,20-21H2,1-5H3/b23-13+,24-19+.
What are the key properties of (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine?
(2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine has a molecular weight of 375.60 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,3,7,11-tetramethyl-N-(naphthalen-1-ylmethyl)dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 6434916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).