2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine

C16H29N3 — CID 62431127

IUPAC2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CNC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-6-19(12-15-7-9-17-10-8-15)16(13(2)3)11-18-14(4)5/h7-10,13-14,16,18H,6,11-12H2,1-5H3
InChIKeyVTNNKJMQIKWRTJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.93
Rot. Bonds8

About 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine

2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 62431127) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID62431127
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CNC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-6-19(12-15-7-9-17-10-8-15)16(13(2)3)11-18-14(4)5/h7-10,13-14,16,18H,6,11-12H2,1-5H3
InChIKeyVTNNKJMQIKWRTJ-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 62431481
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 55074332
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 103069837
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
methyl 2-[ethyl(pyridin-4-ylmethyl)amino]hexanoate
CID 112548725
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 62431127) is 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CCN(Cc1ccncc1)C(CNC(C)C)C(C)C.
What is the InChIKey of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is VTNNKJMQIKWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-19(12-15-7-9-17-10-8-15)16(13(2)3)11-18-14(4)5/h7-10,13-14,16,18H,6,11-12H2,1-5H3.
What are the key properties of 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62431127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).