N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine

C19H34N2 — CID 123728971

IUPACN,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine
SMILESC=CC=C(C)C(=CC)C(C)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N2/c1-7-11-16(5)19(8-2)17(6)21-14-12-18(13-15-21)20(9-3)10-4/h7-8,11,17-18H,1,9-10,12-15H2,2-6H3
InChIKeyTVOQCMHOTQVXDF-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.26
Rot. Bonds7

About N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine

N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine (PubChem CID 123728971) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine
PubChem CID123728971
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine
SMILESC=CC=C(C)C(=CC)C(C)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N2/c1-7-11-16(5)19(8-2)17(6)21-14-12-18(13-15-21)20(9-3)10-4/h7-8,11,17-18H,1,9-10,12-15H2,2-6H3
InChIKeyTVOQCMHOTQVXDF-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.26
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

CID 6446865
CID 6446865
CID 14764803
CID 14764803
CID 144962869
CID 144962869
CID 155327615
CID 155327615
CID 156469853
CID 156469853
CID 156470413
CID 156470413
CID 166907304
CID 166907304
CID 166963559
CID 166963559
CID 167025554
CID 167025554
CID 167025713
CID 167025713
CID 167025868
CID 167025868
CID 142157086
CID 142157086

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine?
The IUPAC name of N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine (CID 123728971) is N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine?
The canonical SMILES for N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine is C=CC=C(C)C(=CC)C(C)N1CCC(N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine?
The InChIKey is TVOQCMHOTQVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-11-16(5)19(8-2)17(6)21-14-12-18(13-15-21)20(9-3)10-4/h7-8,11,17-18H,1,9-10,12-15H2,2-6H3.
What are the key properties of N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine?
N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine has a molecular weight of 290.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-ethylidene-4-methylhepta-4,6-dien-2-yl)piperidin-4-amine is sourced from PubChem (CID 123728971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).