N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine

C13H27N3 — CID 142067715

IUPACN-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine
SMILESC/C=C(/C)CNCCN1CCC(NC)CC1
InChIInChI=1S/C13H27N3/c1-4-12(2)11-15-7-10-16-8-5-13(14-3)6-9-16/h4,13-15H,5-11H2,1-3H3/b12-4-
InChIKeyPETBPMIRQBOPPE-QCDXTXTGSA-N
MW225.38 g/mol
LogP1.23
Rot. Bonds6

About N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine

N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine (PubChem CID 142067715) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine
PubChem CID142067715
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine
SMILESC/C=C(/C)CNCCN1CCC(NC)CC1
InChIInChI=1S/C13H27N3/c1-4-12(2)11-15-7-10-16-8-5-13(14-3)6-9-16/h4,13-15H,5-11H2,1-3H3/b12-4-
InChIKeyPETBPMIRQBOPPE-QCDXTXTGSA-N
XLogP1.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
CID 54595885
1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529443
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629
N-(3-methylbut-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 113825715
N-(2,2-difluoroethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115405685
1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
CID 115516869
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-(3-Methyl-but-2-enyl)-piperazine
CID 10441904

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine (CID 142067715) is N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine is C/C=C(/C)CNCCN1CCC(NC)CC1.
What is the InChIKey of N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine?
The InChIKey is PETBPMIRQBOPPE-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-12(2)11-15-7-10-16-8-5-13(14-3)6-9-16/h4,13-15H,5-11H2,1-3H3/b12-4-.
What are the key properties of N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine?
N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[[(Z)-2-methylbut-2-enyl]amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 142067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).