2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine

C15H33N3 — CID 62424090

IUPAC2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-12(2)15(11-16-13(3)4)18(6)14-7-9-17(5)10-8-14/h12-16H,7-11H2,1-6H3
InChIKeyKYJNCPHWHUBWGT-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds6

About 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine

2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62424090) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62424090
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-12(2)15(11-16-13(3)4)18(6)14-7-9-17(5)10-8-14/h12-16H,7-11H2,1-6H3
InChIKeyKYJNCPHWHUBWGT-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036
2-N,3-dimethyl-2-N-(2-methylcyclohexyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 55072677
2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
CID 115138096
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935127
1-N-tert-butyl-2-N-cyclohexyl-2-N,3-dimethylbutane-1,2-diamine
CID 62423532
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409031

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine (CID 62424090) is 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is KYJNCPHWHUBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(2)15(11-16-13(3)4)18(6)14-7-9-17(5)10-8-14/h12-16H,7-11H2,1-6H3.
What are the key properties of 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).