N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine

C16H28N2 — CID 90735926

IUPACN-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine
SMILESC=CC=C(C)C=C(C)N(CC)CCN1CCCC1
InChIInChI=1S/C16H28N2/c1-5-9-15(3)14-16(4)18(6-2)13-12-17-10-7-8-11-17/h5,9,14H,1,6-8,10-13H2,2-4H3
InChIKeyHPUUWWCKUKYDTR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine

N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine (PubChem CID 90735926) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine
PubChem CID90735926
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine
SMILESC=CC=C(C)C=C(C)N(CC)CCN1CCCC1
InChIInChI=1S/C16H28N2/c1-5-9-15(3)14-16(4)18(6-2)13-12-17-10-7-8-11-17/h5,9,14H,1,6-8,10-13H2,2-4H3
InChIKeyHPUUWWCKUKYDTR-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 144746560
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 13804632
1-(1-Cyclopenta-2,4-dien-1-ylideneethyl)pyrrolidine
CID 85770847
1-(3-Methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 134850991
N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine
CID 22996622
N,N,2-trimethyl-3-pyrrolidin-1-ylcyclopenta-1,3-dien-1-amine
CID 22996623
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]pyrrolidine
CID 89146241
(2E,4E)-4-(3-methylidenepyrrolidin-1-yl)hepta-2,4,6-trien-3-amine
CID 89208105
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]pyrrolidine
CID 89379417
1-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]pyrrolidine
CID 117706853
1-(2,8-Dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine
CID 123627309
2,5-Bis(but-2-enylidene)-1-ethyl-3-methylidenepyrrolidine
CID 123873486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine?
The IUPAC name of N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine (CID 90735926) is N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine is C=CC=C(C)C=C(C)N(CC)CCN1CCCC1.
What is the InChIKey of N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine?
The InChIKey is HPUUWWCKUKYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-9-15(3)14-16(4)18(6-2)13-12-17-10-7-8-11-17/h5,9,14H,1,6-8,10-13H2,2-4H3.
What are the key properties of N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine?
N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 90735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).