(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine

C14H23N — CID 146366991

IUPAC(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
SMILESCC(C)C1=C/CC/C(C(C)C)=C/C=C\1N
InChIInChI=1S/C14H23N/c1-10(2)12-6-5-7-13(11(3)4)14(15)9-8-12/h7-11H,5-6,15H2,1-4H3/b12-8+,13-7-,14-9+
InChIKeyXNQHLWAIHGKHJH-FBEKMWGDSA-N
MW205.34 g/mol
LogP3.79
Rot. Bonds2

About (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine

(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine (PubChem CID 146366991) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
PubChem CID146366991
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
SMILESCC(C)C1=C/CC/C(C(C)C)=C/C=C\1N
InChIInChI=1S/C14H23N/c1-10(2)12-6-5-7-13(11(3)4)14(15)9-8-12/h7-11H,5-6,15H2,1-4H3/b12-8+,13-7-,14-9+
InChIKeyXNQHLWAIHGKHJH-FBEKMWGDSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
3-bromo-1-propan-2-ylcyclohexa-1,3-diene
CID 22253898
(1E,5Z)-1-propan-2-ylcycloocta-1,5-diene
CID 20800721
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316624
1-pentan-2-ylcyclobutene
CID 123526137
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
4-propan-2-yl-1,2,5,8-tetrahydronaphthalene
CID 101316499
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
CID 146622902
4-fluoro-6-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 166836999
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
CID 123737639
1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
CID 105442796

Frequently Asked Questions

What is the IUPAC name of (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine?
The IUPAC name of (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine (CID 146366991) is (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine.
What is the SMILES notation for (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine?
The canonical SMILES for (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine is CC(C)C1=C/CC/C(C(C)C)=C/C=C\1N.
What is the InChIKey of (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine?
The InChIKey is XNQHLWAIHGKHJH-FBEKMWGDSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)12-6-5-7-13(11(3)4)14(15)9-8-12/h7-11H,5-6,15H2,1-4H3/b12-8+,13-7-,14-9+.
What are the key properties of (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine?
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine is sourced from PubChem (CID 146366991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).