(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine

C14H23N — CID 155109514

IUPAC(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C(C)=C(/C)NC(=C)C)C(C)C
InChIInChI=1S/C14H23N/c1-8-14(10(2)3)9-12(6)13(7)15-11(4)5/h8-10,15H,1,4H2,2-3,5-7H3/b13-12+,14-9+
InChIKeyBHJZATVTPZQUAE-WIVVVKQNSA-N
MW205.34 g/mol
LogP4.17
Rot. Bonds5

About (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine

(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 155109514) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
PubChem CID155109514
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C(C)=C(/C)NC(=C)C)C(C)C
InChIInChI=1S/C14H23N/c1-8-14(10(2)3)9-12(6)13(7)15-11(4)5/h8-10,15H,1,4H2,2-3,5-7H3/b13-12+,14-9+
InChIKeyBHJZATVTPZQUAE-WIVVVKQNSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine (CID 155109514) is (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine is C=C/C(=C\C(C)=C(/C)NC(=C)C)C(C)C.
What is the InChIKey of (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is BHJZATVTPZQUAE-WIVVVKQNSA-N. The full InChI is InChI=1S/C14H23N/c1-8-14(10(2)3)9-12(6)13(7)15-11(4)5/h8-10,15H,1,4H2,2-3,5-7H3/b13-12+,14-9+.
What are the key properties of (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 205.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 155109514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).