ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine

C18H36N2 — CID 142068158

IUPACethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine
SMILESC/C=C(C)\C=C(\C)CCN(C)CCC1CCCN1.CC
InChIInChI=1S/C16H30N2.C2H6/c1-5-14(2)13-15(3)8-11-18(4)12-9-16-7-6-10-17-16;1-2/h5,13,16-17H,6-12H2,1-4H3;1-2H3/b14-5-,15-13-;
InChIKeyFXPYSYRIPZCXJE-GIZGTCDBSA-N
MW280.50 g/mol
LogP4.39
Rot. Bonds7

About ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine

ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine (PubChem CID 142068158) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine
PubChem CID142068158
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine
SMILESC/C=C(C)\C=C(\C)CCN(C)CCC1CCCN1.CC
InChIInChI=1S/C16H30N2.C2H6/c1-5-14(2)13-15(3)8-11-18(4)12-9-16-7-6-10-17-16;1-2/h5,13,16-17H,6-12H2,1-4H3;1-2H3/b14-5-,15-13-;
InChIKeyFXPYSYRIPZCXJE-GIZGTCDBSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine?
The IUPAC name of ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine (CID 142068158) is ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine.
What is the SMILES notation for ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine?
The canonical SMILES for ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine is C/C=C(C)\C=C(\C)CCN(C)CCC1CCCN1.CC.
What is the InChIKey of ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine?
The InChIKey is FXPYSYRIPZCXJE-GIZGTCDBSA-N. The full InChI is InChI=1S/C16H30N2.C2H6/c1-5-14(2)13-15(3)8-11-18(4)12-9-16-7-6-10-17-16;1-2/h5,13,16-17H,6-12H2,1-4H3;1-2H3/b14-5-,15-13-;.
What are the key properties of ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine?
ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-N,3,5-trimethyl-N-(2-pyrrolidin-2-ylethyl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 142068158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).