1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

C16H35N3 — CID 83042217

IUPAC1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-7-8-15(13-17-16(2,3)4)19(6)14-9-11-18(5)12-10-14/h14-15,17H,7-13H2,1-6H3
InChIKeyOQAWWRKTHQQXJA-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds6

About 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (PubChem CID 83042217) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
PubChem CID83042217
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-7-8-15(13-17-16(2,3)4)19(6)14-9-11-18(5)12-10-14/h14-15,17H,7-13H2,1-6H3
InChIKeyOQAWWRKTHQQXJA-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991
1-N-tert-butyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054412
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
CID 83054704
1-N-tert-butyl-2-N-cyclopropyl-2-N-prop-2-enylpentane-1,2-diamine
CID 83044416
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123232
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (CID 83042217) is 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is CCCC(CNC(C)(C)C)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The InChIKey is OQAWWRKTHQQXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-8-15(13-17-16(2,3)4)19(6)14-9-11-18(5)12-10-14/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 83042217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).