(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine

C12H21N — CID 144802636

IUPAC(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)NC(C)(C)C)CC
InChIInChI=1S/C12H21N/c1-7-10(2)8-9-11(3)13-12(4,5)6/h8-9,13H,2-3,7H2,1,4-6H3/b9-8-
InChIKeyDVOMYPCDBBJKIZ-HJWRWDBZSA-N
MW179.31 g/mol
LogP3.41
Rot. Bonds4

About (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine

(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine (PubChem CID 144802636) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine
PubChem CID144802636
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)NC(C)(C)C)CC
InChIInChI=1S/C12H21N/c1-7-10(2)8-9-11(3)13-12(4,5)6/h8-9,13H,2-3,7H2,1,4-6H3/b9-8-
InChIKeyDVOMYPCDBBJKIZ-HJWRWDBZSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N-tert-butylhexa-1,3-dien-2-amine
CID 155050644
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine (CID 144802636) is (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine is C=C(/C=C\C(=C)NC(C)(C)C)CC.
What is the InChIKey of (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine?
The InChIKey is DVOMYPCDBBJKIZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H21N/c1-7-10(2)8-9-11(3)13-12(4,5)6/h8-9,13H,2-3,7H2,1,4-6H3/b9-8-.
What are the key properties of (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine?
(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine is sourced from PubChem (CID 144802636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).