(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine

C12H22N2 — CID 134462437

IUPAC(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine
SMILESC=N/C(=C\C=C/C)CCNC(C)(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(13-5)9-10-14-12(2,3)4/h6-8,14H,5,9-10H2,1-4H3/b7-6-,11-8-
InChIKeyALJIBNVCWJONQY-NJMVCRMVSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds5

About (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine

(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine (PubChem CID 134462437) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine
PubChem CID134462437
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine
SMILESC=N/C(=C\C=C/C)CCNC(C)(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(13-5)9-10-14-12(2,3)4/h6-8,14H,5,9-10H2,1-4H3/b7-6-,11-8-
InChIKeyALJIBNVCWJONQY-NJMVCRMVSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-5-[(tert-butylamino)methyl]cyclopenta-1,4-dien-1-amine
CID 57579962
(3E,5Z)-1-N-methyl-7-methylidenenona-3,5,8-triene-1,3-diamine
CID 126627250
(3E,5Z)-N-ethylhepta-3,5-dien-3-amine
CID 129019106
(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine
CID 129232825
(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine
CID 130183055
N-methyl-N'-[(4Z,6Z)-5,6,7-trimethylnona-1,4,6,8-tetraen-2-yl]propane-1,3-diamine
CID 130334737
(1E,3E,5Z)-4-ethenyl-N-methyl-5-(methylideneamino)-N'-propylhepta-1,3,5-triene-1,7-diamine
CID 132038843
(2Z,3E)-1-N,3-N-ditert-butyl-2-ethylidenehexa-3,5-diene-1,3-diamine
CID 134402656
(2E,4Z)-6-methyl-N-propylhepta-2,4,6-trien-2-amine
CID 134513595
(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 135270843
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574
1-N-(3-aminopropyl)-1-methylcyclohexa-3,5-diene-1,3-diamine
CID 140439565

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine (CID 134462437) is (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine is C=N/C(=C\C=C/C)CCNC(C)(C)C.
What is the InChIKey of (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine?
The InChIKey is ALJIBNVCWJONQY-NJMVCRMVSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-8-11(13-5)9-10-14-12(2,3)4/h6-8,14H,5,9-10H2,1-4H3/b7-6-,11-8-.
What are the key properties of (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine?
(3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-tert-butyl-3-(methylideneamino)hepta-3,5-dien-1-amine is sourced from PubChem (CID 134462437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).