2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine

C13H26N2 — CID 63176537

IUPAC2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\N1CCC(CCC)CC1)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-5-6-11-7-9-15(10-8-11)12(14)13(2,3)4/h11,14H,5-10H2,1-4H3/b14-12-
InChIKeyKGHYGVUYZGOERH-OWBHPGMISA-N
MW210.36 g/mol
LogP3.52
Rot. Bonds2

About 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine

2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine (PubChem CID 63176537) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine
PubChem CID63176537
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\N1CCC(CCC)CC1)C(C)(C)C
InChIInChI=1S/C13H26N2/c1-5-6-11-7-9-15(10-8-11)12(14)13(2,3)4/h11,14H,5-10H2,1-4H3/b14-12-
InChIKeyKGHYGVUYZGOERH-OWBHPGMISA-N
XLogP3.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
CID 63181974
1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine
CID 63177588
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine (CID 63176537) is 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine is [H]/N=C(\N1CCC(CCC)CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine?
The InChIKey is KGHYGVUYZGOERH-OWBHPGMISA-N. The full InChI is InChI=1S/C13H26N2/c1-5-6-11-7-9-15(10-8-11)12(14)13(2,3)4/h11,14H,5-10H2,1-4H3/b14-12-.
What are the key properties of 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine?
2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine has a molecular weight of 210.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 63176537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).