(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine

C22H32N2 — CID 143431934

IUPAC(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)N.C=C/C(=C\C(=C)N)C(C)C
InChIInChI=1S/C13H17N.C9H15N/c1-10(2)6-7-11(3)12(4)8-9-13(5)14;1-5-9(7(2)3)6-8(4)10/h6-9H,1,3-5,14H2,2H3;5-7H,1,4,10H2,2-3H3/b7-6-,9-8-;9-6+
InChIKeySHZAZHMGCVYVJT-UJSWEYLBSA-N
MW324.51 g/mol
LogP5.49
Rot. Bonds8

About (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine

(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine (PubChem CID 143431934) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine
PubChem CID143431934
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)N.C=C/C(=C\C(=C)N)C(C)C
InChIInChI=1S/C13H17N.C9H15N/c1-10(2)6-7-11(3)12(4)8-9-13(5)14;1-5-9(7(2)3)6-8(4)10/h6-9H,1,3-5,14H2,2H3;5-7H,1,4,10H2,2-3H3/b7-6-,9-8-;9-6+
InChIKeySHZAZHMGCVYVJT-UJSWEYLBSA-N
XLogP5.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
CID 134431459
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
CID 143072241
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine (CID 143431934) is (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)C(=C)/C=C\C(=C)N.C=C/C(=C\C(=C)N)C(C)C.
What is the InChIKey of (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine?
The InChIKey is SHZAZHMGCVYVJT-UJSWEYLBSA-N. The full InChI is InChI=1S/C13H17N.C9H15N/c1-10(2)6-7-11(3)12(4)8-9-13(5)14;1-5-9(7(2)3)6-8(4)10/h6-9H,1,3-5,14H2,2H3;5-7H,1,4,10H2,2-3H3/b7-6-,9-8-;9-6+.
What are the key properties of (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine?
(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine has a molecular weight of 324.51 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine;(3Z)-4-propan-2-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143431934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).