N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine

C13H23N3 — CID 176552562

IUPACN-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H23N3/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4/h10,12H,4-9H2,1-3H3/b13-11+
InChIKeyYORUEWPCSQVQDQ-ACCUITESSA-N
MW221.35 g/mol
LogP2.94
Rot. Bonds4

About N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine

N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine (PubChem CID 176552562) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
PubChem CID176552562
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H23N3/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4/h10,12H,4-9H2,1-3H3/b13-11+
InChIKeyYORUEWPCSQVQDQ-ACCUITESSA-N
XLogP2.94
TPSA27.96 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 ≤ 52.94
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-[(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-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
CID 176552543
fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176553028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine (CID 176552562) is N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine is C=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1.
What is the InChIKey of N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The InChIKey is YORUEWPCSQVQDQ-ACCUITESSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4/h10,12H,4-9H2,1-3H3/b13-11+.
What are the key properties of N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine has a molecular weight of 221.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine is sourced from PubChem (CID 176552562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).