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

C13H23N3 — CID 145198186

IUPACN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine
SMILESC=C(C)/N=C1\CCN(CCN(C)C)CC1=C
InChIInChI=1S/C13H23N3/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5/h1,3,6-10H2,2,4-5H3/b14-13+
InChIKeySVEQPGIYOUVPNI-BUHFOSPRSA-N
MW221.35 g/mol
LogP1.78
Rot. Bonds4

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

N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine (PubChem CID 145198186) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine
PubChem CID145198186
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine
SMILESC=C(C)/N=C1\CCN(CCN(C)C)CC1=C
InChIInChI=1S/C13H23N3/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5/h1,3,6-10H2,2,4-5H3/b14-13+
InChIKeySVEQPGIYOUVPNI-BUHFOSPRSA-N
XLogP1.78
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.78
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?
The IUPAC name of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine (CID 145198186) is N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine is C=C(C)/N=C1\CCN(CCN(C)C)CC1=C.
What is the InChIKey of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine?
The InChIKey is SVEQPGIYOUVPNI-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)14-13-6-7-16(10-12(13)3)9-8-15(4)5/h1,3,6-10H2,2,4-5H3/b14-13+.
What are the key properties of N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine?
N,N-dimethyl-2-(3-methylidene-4-prop-1-en-2-yliminopiperidin-1-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.78, 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 is sourced from PubChem (CID 145198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).