2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

C15H33N3 — CID 62436873

IUPAC2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)CNCC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-18-9-7-15(8-10-18)17(5)14(4)12-16-11-13(2)3/h13-16H,6-12H2,1-5H3
InChIKeyOFAFCWBDNLRQOV-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 62436873) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID62436873
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN1CCC(N(C)C(C)CNCC(C)C)CC1
InChIInChI=1S/C15H33N3/c1-6-18-9-7-15(8-10-18)17(5)14(4)12-16-11-13(2)3/h13-16H,6-12H2,1-5H3
InChIKeyOFAFCWBDNLRQOV-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436193
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 62436874
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
CID 55213277
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358
2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
CID 114133400
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
CID 114133096
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 62436873) is 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is CCN1CCC(N(C)C(C)CNCC(C)C)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is OFAFCWBDNLRQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-18-9-7-15(8-10-18)17(5)14(4)12-16-11-13(2)3/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62436873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).