1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

C16H29N3 — CID 55074145

IUPAC1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)CCc1ccncc1
InChIInChI=1S/C16H29N3/c1-6-15(13-18-16(2,3)4)19(5)12-9-14-7-10-17-11-8-14/h7-8,10-11,15,18H,6,9,12-13H2,1-5H3
InChIKeyWMWNPRBDZVHXLN-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.72
Rot. Bonds7

About 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 55074145) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID55074145
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(C)CCc1ccncc1
InChIInChI=1S/C16H29N3/c1-6-15(13-18-16(2,3)4)19(5)12-9-14-7-10-17-11-8-14/h7-8,10-11,15,18H,6,9,12-13H2,1-5H3
InChIKeyWMWNPRBDZVHXLN-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62427612
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
3-[methyl(2-pyridin-4-ylethyl)amino]pentanethioamide
CID 54945704
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
CID 64726284
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (CID 55074145) is 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(C)CCc1ccncc1.
What is the InChIKey of 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is WMWNPRBDZVHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-15(13-18-16(2,3)4)19(5)12-9-14-7-10-17-11-8-14/h7-8,10-11,15,18H,6,9,12-13H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.72, 7 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-(2-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 55074145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).