(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine

C16H31N — CID 10105593

IUPAC(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)(C)CCN
InChIInChI=1S/C16H31N/c1-14(2)8-6-9-15(3)10-7-11-16(4,5)12-13-17/h8,10H,6-7,9,11-13,17H2,1-5H3/b15-10+
InChIKeyYHDBMRHXOKYRNC-XNTDXEJSSA-N
MW237.43 g/mol
LogP4.83
Rot. Bonds8

About (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine

(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine (PubChem CID 10105593) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine.

Molecular Properties

Compound Name(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine
PubChem CID10105593
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)(C)CCN
InChIInChI=1S/C16H31N/c1-14(2)8-6-9-15(3)10-7-11-16(4,5)12-13-17/h8,10H,6-7,9,11-13,17H2,1-5H3/b15-10+
InChIKeyYHDBMRHXOKYRNC-XNTDXEJSSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
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 (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine?
The IUPAC name of (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine (CID 10105593) is (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine.
What is the SMILES notation for (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine?
The canonical SMILES for (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine is CC(C)=CCC/C(C)=C/CCC(C)(C)CCN.
What is the InChIKey of (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine?
The InChIKey is YHDBMRHXOKYRNC-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2)8-6-9-15(3)10-7-11-16(4,5)12-13-17/h8,10H,6-7,9,11-13,17H2,1-5H3/b15-10+.
What are the key properties of (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine?
(6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,3,7,11-tetramethyldodeca-6,10-dien-1-amine is sourced from PubChem (CID 10105593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).