2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine

C18H37N3 — CID 79540120

IUPAC2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1C1CCCCN1)N(C)C
InChIInChI=1S/C18H37N3/c1-14(2)18(21(3)4)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h14-20H,5-13H2,1-4H3
InChIKeyXRJDSCDWUSEDFD-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.86
Rot. Bonds6

About 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine (PubChem CID 79540120) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine
PubChem CID79540120
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCCCC1C1CCCCN1)N(C)C
InChIInChI=1S/C18H37N3/c1-14(2)18(21(3)4)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h14-20H,5-13H2,1-4H3
InChIKeyXRJDSCDWUSEDFD-UHFFFAOYSA-N
XLogP2.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832
N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine
CID 79553044
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
CID 79544808
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
1-cyclopropyl-2-[(2-piperidin-2-ylcyclohexyl)amino]ethanol
CID 79552815
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
N-[(4-ethylcyclohexyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538663
N-(cyclobutylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79545811
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730
1-N,1-N-dimethyl-2-N-(2-piperidin-2-ylcyclopentyl)propane-1,2-diamine
CID 82939086
2-piperidin-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 106007566

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine (CID 79540120) is 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine is CC(C)C(CNC1CCCCC1C1CCCCN1)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine?
The InChIKey is XRJDSCDWUSEDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-14(2)18(21(3)4)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h14-20H,5-13H2,1-4H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine is sourced from PubChem (CID 79540120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).