(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine

C14H27N3 — CID 143556067

IUPAC(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine
SMILESCC/C=C(/CN(C)C)N1CCC(/C=N/C)CC1
InChIInChI=1S/C14H27N3/c1-5-6-14(12-16(3)4)17-9-7-13(8-10-17)11-15-2/h6,11,13H,5,7-10,12H2,1-4H3/b14-6-,15-11+
InChIKeyZPBNQQMBGIVWCY-SZNLFEMRSA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds5

About (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine

(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine (PubChem CID 143556067) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine
PubChem CID143556067
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine
SMILESCC/C=C(/CN(C)C)N1CCC(/C=N/C)CC1
InChIInChI=1S/C14H27N3/c1-5-6-14(12-16(3)4)17-9-7-13(8-10-17)11-15-2/h6,11,13H,5,7-10,12H2,1-4H3/b14-6-,15-11+
InChIKeyZPBNQQMBGIVWCY-SZNLFEMRSA-N
XLogP2.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
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

5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
Ethane;6-(1-methylpiperidin-2-yl)-3,4-dihydropyridine
CID 144108443
3-chloro-7-(1-propan-2-ylpiperidin-4-yl)-5H-1,4-diazepine
CID 145325426
Ethane;1-methyl-6-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydropyridin-1-ium
CID 153586418
(3Z)-3-ethylidene-N-methyl-1-(3-methylpent-1-en-2-yl)piperidin-4-imine
CID 172383541
4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-4H-azepine
CID 172586863
6-(1-Methylpiperidin-2-yl)-3,4-dihydropyridine
CID 144108444
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine
CID 145197854
2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198033

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine (CID 143556067) is (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine is CC/C=C(/CN(C)C)N1CCC(/C=N/C)CC1.
What is the InChIKey of (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine?
The InChIKey is ZPBNQQMBGIVWCY-SZNLFEMRSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-6-14(12-16(3)4)17-9-7-13(8-10-17)11-15-2/h6,11,13H,5,7-10,12H2,1-4H3/b14-6-,15-11+.
What are the key properties of (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine?
(Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-[4-(methyliminomethyl)piperidin-1-yl]pent-2-en-1-amine is sourced from PubChem (CID 143556067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).