2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine

C15H30N4 — CID 64800225

IUPAC2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccn(C(C)CC)n1)C(C)(C)CN
InChIInChI=1S/C15H30N4/c1-6-9-18(15(4,5)12-16)11-14-8-10-19(17-14)13(3)7-2/h8,10,13H,6-7,9,11-12,16H2,1-5H3
InChIKeyDHPGABLQOPOJAB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds8

About 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine

2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 64800225) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
PubChem CID64800225
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(Cc1ccn(C(C)CC)n1)C(C)(C)CN
InChIInChI=1S/C15H30N4/c1-6-9-18(15(4,5)12-16)11-14-8-10-19(17-14)13(3)7-2/h8,10,13H,6-7,9,11-12,16H2,1-5H3
InChIKeyDHPGABLQOPOJAB-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
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-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66213681
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine (CID 64800225) is 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine is CCCN(Cc1ccn(C(C)CC)n1)C(C)(C)CN.
What is the InChIKey of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is DHPGABLQOPOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-9-18(15(4,5)12-16)11-14-8-10-19(17-14)13(3)7-2/h8,10,13H,6-7,9,11-12,16H2,1-5H3.
What are the key properties of 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine?
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 64800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).