(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine

C13H25N — CID 129103639

IUPAC(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine
SMILESC/C=C\C=C(\C(C)C)C(C)(C)NCC
InChIInChI=1S/C13H25N/c1-7-9-10-12(11(3)4)13(5,6)14-8-2/h7,9-11,14H,8H2,1-6H3/b9-7-,12-10-
InChIKeyDIKXUARVNMARNH-GEHMVYPESA-N
MW195.35 g/mol
LogP3.53
Rot. Bonds5

About (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine

(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine (PubChem CID 129103639) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine
PubChem CID129103639
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine
SMILESC/C=C\C=C(\C(C)C)C(C)(C)NCC
InChIInChI=1S/C13H25N/c1-7-9-10-12(11(3)4)13(5,6)14-8-2/h7,9-11,14H,8H2,1-6H3/b9-7-,12-10-
InChIKeyDIKXUARVNMARNH-GEHMVYPESA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.53
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 (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine (CID 129103639) is (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine is C/C=C\C=C(\C(C)C)C(C)(C)NCC.
What is the InChIKey of (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine?
The InChIKey is DIKXUARVNMARNH-GEHMVYPESA-N. The full InChI is InChI=1S/C13H25N/c1-7-9-10-12(11(3)4)13(5,6)14-8-2/h7,9-11,14H,8H2,1-6H3/b9-7-,12-10-.
What are the key properties of (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine?
(3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethyl-2-methyl-3-propan-2-ylhepta-3,5-dien-2-amine is sourced from PubChem (CID 129103639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).