1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

C15H28N4 — CID 116652941

IUPAC1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(CC)n1ccc(CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C15H28N4/c1-4-14(5-2)19-9-8-13(17-19)11-18(3)15(10-16)12-6-7-12/h8-9,12,14-15H,4-7,10-11,16H2,1-3H3
InChIKeyLZYWCVRUHKXMBU-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds8

About 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 116652941) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID116652941
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCC(CC)n1ccc(CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C15H28N4/c1-4-14(5-2)19-9-8-13(17-19)11-18(3)15(10-16)12-6-7-12/h8-9,12,14-15H,4-7,10-11,16H2,1-3H3
InChIKeyLZYWCVRUHKXMBU-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 116652941) is 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCC(CC)n1ccc(CN(C)C(CN)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is LZYWCVRUHKXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-14(5-2)19-9-8-13(17-19)11-18(3)15(10-16)12-6-7-12/h8-9,12,14-15H,4-7,10-11,16H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116652941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).