N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane

C19H38N2 — CID 142372783

IUPACN,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane
SMILESC=C(C)C1CCN(C(=C)CN(C)CCC(C)C)CC1.CC
InChIInChI=1S/C17H32N2.C2H6/c1-14(2)7-10-18(6)13-16(5)19-11-8-17(9-12-19)15(3)4;1-2/h14,17H,3,5,7-13H2,1-2,4,6H3;1-2H3
InChIKeyYOFHJHDMMPOGJG-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.79
Rot. Bonds7

About N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane

N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane (PubChem CID 142372783) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane
PubChem CID142372783
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane
SMILESC=C(C)C1CCN(C(=C)CN(C)CCC(C)C)CC1.CC
InChIInChI=1S/C17H32N2.C2H6/c1-14(2)7-10-18(6)13-16(5)19-11-8-17(9-12-19)15(3)4;1-2/h14,17H,3,5,7-13H2,1-2,4,6H3;1-2H3
InChIKeyYOFHJHDMMPOGJG-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(4-methylidenepiperidin-1-yl)prop-2-en-1-amine
CID 58970804
1-(5-Methylhex-1-en-2-yl)-4-propan-2-ylpiperazine
CID 89459515
1-Methyl-4-(4-methylpent-1-en-2-yl)piperazine
CID 89670675
(2R)-2-(3-methylbut-1-en-2-yl)-4-(3-methylbutyl)-1-propan-2-ylpiperazine
CID 90141174
1-Methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
CID 121277356
3-Methylidene-5-(4-methylpiperidin-1-yl)hexa-1,5-dien-2-amine
CID 132198393
1-(4-Methylpent-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
CID 138623769
1,4-Bis(prop-1-en-2-yl)piperidine
CID 141962384
Ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
CID 142372787
N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
CID 142596930
4-Methyl-1-pent-1-en-2-ylpiperidine
CID 143498403
(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine
CID 143567809

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane?
The IUPAC name of N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane (CID 142372783) is N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane.
What is the SMILES notation for N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane?
The canonical SMILES for N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane is C=C(C)C1CCN(C(=C)CN(C)CCC(C)C)CC1.CC.
What is the InChIKey of N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane?
The InChIKey is YOFHJHDMMPOGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-14(2)7-10-18(6)13-16(5)19-11-8-17(9-12-19)15(3)4;1-2/h14,17H,3,5,7-13H2,1-2,4,6H3;1-2H3.
What are the key properties of N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane?
N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane has a molecular weight of 294.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane is sourced from PubChem (CID 142372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).