(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine

C14H23N — CID 154947578

IUPAC(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine
SMILESC=C(CCCC)/C(CN)=C1\C=CCCC1
InChIInChI=1S/C14H23N/c1-3-4-8-12(2)14(11-15)13-9-6-5-7-10-13/h6,9H,2-5,7-8,10-11,15H2,1H3/b14-13+
InChIKeyANHSVSOOKAGPGX-BUHFOSPRSA-N
MW205.34 g/mol
LogP3.73
Rot. Bonds5

About (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine

(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine (PubChem CID 154947578) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine.

Molecular Properties

Compound Name(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine
PubChem CID154947578
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine
SMILESC=C(CCCC)/C(CN)=C1\C=CCCC1
InChIInChI=1S/C14H23N/c1-3-4-8-12(2)14(11-15)13-9-6-5-7-10-13/h6,9H,2-5,7-8,10-11,15H2,1H3/b14-13+
InChIKeyANHSVSOOKAGPGX-BUHFOSPRSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylpentan-3-ylidene)cyclohexene
CID 140596256
3-methylideneoctan-4-one
CID 11815902
1-(1-butoxyethenyl)cyclopentene
CID 14296313
cyclopentene;2-methylpent-1-ene
CID 158486939
11-methylidenetricosan-12-one
CID 146586592
2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane
CID 172539067
3-butylidenecyclohexene
CID 54334793
1,2-dipropylcyclohepta-1,3-diene
CID 175557137
1-hex-1-en-2-ylpyrrolidine
CID 18511208
2-methylidenehexanoic acid;zinc
CID 174824467
1-cyclohexyl-2-methylidenedodecan-1-ol
CID 101237279
7-butylcyclohept-2-en-1-one
CID 13297854

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine?
The IUPAC name of (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine (CID 154947578) is (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine.
What is the SMILES notation for (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine?
The canonical SMILES for (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine is C=C(CCCC)/C(CN)=C1\C=CCCC1.
What is the InChIKey of (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine?
The InChIKey is ANHSVSOOKAGPGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-8-12(2)14(11-15)13-9-6-5-7-10-13/h6,9H,2-5,7-8,10-11,15H2,1H3/b14-13+.
What are the key properties of (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine?
(2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyclohex-2-en-1-ylidene-3-methylideneheptan-1-amine is sourced from PubChem (CID 154947578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).