N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane

C15H29N3 — CID 145198185

IUPACN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane
SMILESC=C(C)/N=C1\CCN(CCN(C)C)CC1=C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5;1-2/h1,3,6-10H2,2,4-5H3;1-2H3/b14-13+;
InChIKeyCTTNBFIOBBPVTG-IERUDJENSA-N
MW251.42 g/mol
LogP2.81
Rot. Bonds4

About N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane

N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane (PubChem CID 145198185) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane
PubChem CID145198185
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane
SMILESC=C(C)/N=C1\CCN(CCN(C)C)CC1=C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5;1-2/h1,3,6-10H2,2,4-5H3;1-2H3/b14-13+;
InChIKeyCTTNBFIOBBPVTG-IERUDJENSA-N
XLogP2.81
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
1-[4-(2-methyl-3H-pyrrol-4-yl)but-1-en-2-yl]piperidine
CID 89409493
N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine
CID 90764055
1-(2,4-Dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
CID 123287693
1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
CID 129029428
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
1-methyl-3-methylidene-N-prop-1-en-2-ylpiperidin-4-imine
CID 134406810
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
ethane;3-methylidene-1-(2-nitrosoethyl)-N-prop-1-en-2-ylpiperidin-4-imine
CID 145197789
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
CID 145197853
N-methyl-N-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)sulfanylmethanamine
CID 145197871

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane (CID 145198185) is N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane is C=C(C)/N=C1\CCN(CCN(C)C)CC1=C.CC.
What is the InChIKey of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The InChIKey is CTTNBFIOBBPVTG-IERUDJENSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5;1-2/h1,3,6-10H2,2,4-5H3;1-2H3/b14-13+;.
What are the key properties of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane has a molecular weight of 251.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine;ethane is sourced from PubChem (CID 145198185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).