(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene

C19H39N — CID 145400080

IUPAC(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
SMILESC/C=C(C(=C/C)\C(C)(C)C)/C(C)C.C=CC(C)C.CN
InChIInChI=1S/C13H24.C5H10.CH5N/c1-8-11(10(3)4)12(9-2)13(5,6)7;1-4-5(2)3;1-2/h8-10H,1-7H3;4-5H,1H2,2-3H3;2H2,1H3/b11-8-,12-9+;;
InChIKeyFQOMFTWTNHTWME-RXHDVUPZSA-N
MW281.53 g/mol
LogP5.98
Rot. Bonds3

About (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene

(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene (PubChem CID 145400080) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene.

Molecular Properties

Compound Name(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
PubChem CID145400080
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
SMILESC/C=C(C(=C/C)\C(C)(C)C)/C(C)C.C=CC(C)C.CN
InChIInChI=1S/C13H24.C5H10.CH5N/c1-8-11(10(3)4)12(9-2)13(5,6)7;1-4-5(2)3;1-2/h8-10H,1-7H3;4-5H,1H2,2-3H3;2H2,1H3/b11-8-,12-9+;;
InChIKeyFQOMFTWTNHTWME-RXHDVUPZSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene with MolForge

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Related Compounds

methanamine;3-methylbut-1-ene
CID 161011072
3-methylbut-1-ene;hydrobromide
CID 158395600
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
ethane;ethene;3-methylbut-1-ene
CID 145381296
(Z)-3-tert-butyl-5,6,6-trimethylhept-2-en-4-one
CID 123927287
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450
O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
CID 143947867
2-methylpropyl 2-tert-butylbut-2-enoate
CID 174703085
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509
4,4-dimethylpentan-1-ol;3-methylbut-1-ene
CID 157179674
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
2-tert-butylbut-2-enoic acid
CID 54472198

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene?
The IUPAC name of (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene (CID 145400080) is (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene.
What is the SMILES notation for (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene?
The canonical SMILES for (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene is C/C=C(C(=C/C)\C(C)(C)C)/C(C)C.C=CC(C)C.CN.
What is the InChIKey of (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene?
The InChIKey is FQOMFTWTNHTWME-RXHDVUPZSA-N. The full InChI is InChI=1S/C13H24.C5H10.CH5N/c1-8-11(10(3)4)12(9-2)13(5,6)7;1-4-5(2)3;1-2/h8-10H,1-7H3;4-5H,1H2,2-3H3;2H2,1H3/b11-8-,12-9+;;.
What are the key properties of (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene?
(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene has a molecular weight of 281.53 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene is sourced from PubChem (CID 145400080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).