2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine

C17H37N3 — CID 83053845

IUPAC2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-7-17(13-18-12-15(2)3)20(5)14-16-8-10-19(4)11-9-16/h15-18H,6-14H2,1-5H3
InChIKeyBOLMKVUIRPEZTO-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds9

About 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 83053845) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID83053845
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H37N3/c1-6-7-17(13-18-12-15(2)3)20(5)14-16-8-10-19(4)11-9-16/h15-18H,6-14H2,1-5H3
InChIKeyBOLMKVUIRPEZTO-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
2-N-(cyclopropylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83054183
3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 103226561
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
2-N-(cyclobutylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83055229
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide
CID 83048313
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 83053845) is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is BOLMKVUIRPEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-7-17(13-18-12-15(2)3)20(5)14-16-8-10-19(4)11-9-16/h15-18H,6-14H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 83053845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).