N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine

C14H28N2 — CID 123200963

IUPACN,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine
SMILESCCC(C)C(/C(C)=N/C)C1CCN(C)CC1
InChIInChI=1S/C14H28N2/c1-6-11(2)14(12(3)15-4)13-7-9-16(5)10-8-13/h11,13-14H,6-10H2,1-5H3/b15-12+
InChIKeyCOXHWEQOFNYTRD-NTCAYCPXSA-N
MW224.39 g/mol
LogP3.08
Rot. Bonds4

About N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine

N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine (PubChem CID 123200963) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine.

Molecular Properties

Compound NameN,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine
PubChem CID123200963
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine
SMILESCCC(C)C(/C(C)=N/C)C1CCN(C)CC1
InChIInChI=1S/C14H28N2/c1-6-11(2)14(12(3)15-4)13-7-9-16(5)10-8-13/h11,13-14H,6-10H2,1-5H3/b15-12+
InChIKeyCOXHWEQOFNYTRD-NTCAYCPXSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(1-methylpiperidin-4-yl)pentan-2-one
CID 59926372
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
(1-methylpiperidin-4-yl)methanediol
CID 21366498
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
CID 139460422
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
4-(dimethoxymethyl)-1-methylpiperidine
CID 130714868
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine?
The IUPAC name of N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine (CID 123200963) is N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine.
What is the SMILES notation for N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine?
The canonical SMILES for N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine is CCC(C)C(/C(C)=N/C)C1CCN(C)CC1.
What is the InChIKey of N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine?
The InChIKey is COXHWEQOFNYTRD-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-11(2)14(12(3)15-4)13-7-9-16(5)10-8-13/h11,13-14H,6-10H2,1-5H3/b15-12+.
What are the key properties of N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine?
N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine has a molecular weight of 224.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(1-methylpiperidin-4-yl)hexan-2-imine is sourced from PubChem (CID 123200963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).