(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine

C14H23N — CID 167385019

IUPAC(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine
SMILESCC1(C)/C=C/C=C(N)\C=C\C(C)(C)CC1
InChIInChI=1S/C14H23N/c1-13(2)8-5-6-12(15)7-9-14(3,4)11-10-13/h5-9H,10-11,15H2,1-4H3/b8-5+,9-7+,12-6+
InChIKeyYBBRSIDRJXDLQX-FADOVEOTSA-N
MW205.34 g/mol
LogP3.79
Rot. Bonds

About (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine

(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine (PubChem CID 167385019) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine
PubChem CID167385019
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine
SMILESCC1(C)/C=C/C=C(N)\C=C\C(C)(C)CC1
InChIInChI=1S/C14H23N/c1-13(2)8-5-6-12(15)7-9-14(3,4)11-10-13/h5-9H,10-11,15H2,1-4H3/b8-5+,9-7+,12-6+
InChIKeyYBBRSIDRJXDLQX-FADOVEOTSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
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4,4-dimethylcyclohexa-1,5-dien-1-amine;5-methylhept-1-ene;molecular hydrogen
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4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine?
The IUPAC name of (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine (CID 167385019) is (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine.
What is the SMILES notation for (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine?
The canonical SMILES for (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine is CC1(C)/C=C/C=C(N)\C=C\C(C)(C)CC1.
What is the InChIKey of (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine?
The InChIKey is YBBRSIDRJXDLQX-FADOVEOTSA-N. The full InChI is InChI=1S/C14H23N/c1-13(2)8-5-6-12(15)7-9-14(3,4)11-10-13/h5-9H,10-11,15H2,1-4H3/b8-5+,9-7+,12-6+.
What are the key properties of (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine?
(1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,9E)-5,5,8,8-tetramethylcyclodeca-1,3,9-trien-1-amine is sourced from PubChem (CID 167385019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).