(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine

C13H17N — CID 89200532

IUPAC(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
SMILESC=c1cccc/c1=C/C=C\C(C)(C)N
InChIInChI=1S/C13H17N/c1-11-7-4-5-8-12(11)9-6-10-13(2,3)14/h4-10H,1,14H2,2-3H3/b10-6-,12-9-
InChIKeyJZUKJNLIJUNQKI-LQBUGXQISA-N
MW187.29 g/mol
LogP1.17
Rot. Bonds2

About (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine

(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine (PubChem CID 89200532) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine.

Molecular Properties

Compound Name(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
PubChem CID89200532
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
SMILESC=c1cccc/c1=C/C=C\C(C)(C)N
InChIInChI=1S/C13H17N/c1-11-7-4-5-8-12(11)9-6-10-13(2,3)14/h4-10H,1,14H2,2-3H3/b10-6-,12-9-
InChIKeyJZUKJNLIJUNQKI-LQBUGXQISA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine?
The IUPAC name of (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine (CID 89200532) is (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine.
What is the SMILES notation for (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine?
The canonical SMILES for (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine is C=c1cccc/c1=C/C=C\C(C)(C)N.
What is the InChIKey of (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine?
The InChIKey is JZUKJNLIJUNQKI-LQBUGXQISA-N. The full InChI is InChI=1S/C13H17N/c1-11-7-4-5-8-12(11)9-6-10-13(2,3)14/h4-10H,1,14H2,2-3H3/b10-6-,12-9-.
What are the key properties of (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine?
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine has a molecular weight of 187.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine is sourced from PubChem (CID 89200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).