2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine

C13H26N4 — CID 82865540

IUPAC2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
SMILESCCN(Cc1ccn(C)n1)C(CC)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-13(6-2,11-14)17(7-3)10-12-8-9-16(4)15-12/h8-9H,5-7,10-11,14H2,1-4H3
InChIKeyYEXNXOCQTLNMOB-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.76
Rot. Bonds7

About 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine

2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine (PubChem CID 82865540) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
PubChem CID82865540
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
SMILESCCN(Cc1ccn(C)n1)C(CC)(CC)CN
InChIInChI=1S/C13H26N4/c1-5-13(6-2,11-14)17(7-3)10-12-8-9-16(4)15-12/h8-9H,5-7,10-11,14H2,1-4H3
InChIKeyYEXNXOCQTLNMOB-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N,2-diethylbutane-1,2-diamine
CID 64801567
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933
3-ethyl-1-methylpyrazole;propane
CID 170573719
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
CID 105239262
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine (CID 82865540) is 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine is CCN(Cc1ccn(C)n1)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine?
The InChIKey is YEXNXOCQTLNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-13(6-2,11-14)17(7-3)10-12-8-9-16(4)15-12/h8-9H,5-7,10-11,14H2,1-4H3.
What are the key properties of 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine?
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 82865540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).