(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine

C16H29N — CID 88941049

IUPAC(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C(CCC1CC1)=C(/C)C(C)CNCC
InChIInChI=1S/C16H29N/c1-5-7-16(11-10-15-8-9-15)14(4)13(3)12-17-6-2/h5,7,13,15,17H,6,8-12H2,1-4H3/b7-5-,16-14-
InChIKeyIVBOTVNIAGGWSM-WIQSEQRJSA-N
MW235.41 g/mol
LogP4.31
Rot. Bonds8

About (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine

(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine (PubChem CID 88941049) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
PubChem CID88941049
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C(CCC1CC1)=C(/C)C(C)CNCC
InChIInChI=1S/C16H29N/c1-5-7-16(11-10-15-8-9-15)14(4)13(3)12-17-6-2/h5,7,13,15,17H,6,8-12H2,1-4H3/b7-5-,16-14-
InChIKeyIVBOTVNIAGGWSM-WIQSEQRJSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.31
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 (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine (CID 88941049) is (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine is C/C=C\C(CCC1CC1)=C(/C)C(C)CNCC.
What is the InChIKey of (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine?
The InChIKey is IVBOTVNIAGGWSM-WIQSEQRJSA-N. The full InChI is InChI=1S/C16H29N/c1-5-7-16(11-10-15-8-9-15)14(4)13(3)12-17-6-2/h5,7,13,15,17H,6,8-12H2,1-4H3/b7-5-,16-14-.
What are the key properties of (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine?
(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 88941049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).