N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine

C13H25N3 — CID 156711934

IUPACN-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
SMILESC=NC(=C)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C13H25N3/c1-11(2)15(5)10-13-6-8-16(9-7-13)12(3)14-4/h11,13H,3-4,6-10H2,1-2,5H3
InChIKeyXTLQKOCWXPYIKA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine

N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 156711934) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID156711934
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
SMILESC=NC(=C)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C13H25N3/c1-11(2)15(5)10-13-6-8-16(9-7-13)12(3)14-4/h11,13H,3-4,6-10H2,1-2,5H3
InChIKeyXTLQKOCWXPYIKA-UHFFFAOYSA-N
XLogP2.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.21
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

N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
CID 156752689
N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
CID 176552841
N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
CID 176553009
N-[1-(2-methylpiperidin-1-yl)ethenyl]methanimine
CID 89625136
N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 91333878
4-Methyl-1-[1-(methylideneamino)ethenyl]piperidin-4-amine
CID 123366027
N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
CID 142925929
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
CID 143028537
N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
CID 176552543
N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176552562
N-[(1Z)-1-(4-ethylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699174
N-[1-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethenyl]methanimine
CID 142371605

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine (CID 156711934) is N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine is C=NC(=C)N1CCC(CN(C)C(C)C)CC1.
What is the InChIKey of N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is XTLQKOCWXPYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)15(5)10-13-6-8-16(9-7-13)12(3)14-4/h11,13H,3-4,6-10H2,1-2,5H3.
What are the key properties of N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine?
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 156711934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).