1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine

C16H27N3 — CID 64800483

IUPAC1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
SMILESCCC(CC)n1ccc(CNC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H27N3/c1-3-15(4-2)19-10-9-14(18-19)11-17-16(12-5-6-12)13-7-8-13/h9-10,12-13,15-17H,3-8,11H2,1-2H3
InChIKeyYWXSJMVRWHHWPF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds8

About 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 64800483) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
PubChem CID64800483
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
SMILESCCC(CC)n1ccc(CNC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H27N3/c1-3-15(4-2)19-10-9-14(18-19)11-17-16(12-5-6-12)13-7-8-13/h9-10,12-13,15-17H,3-8,11H2,1-2H3
InChIKeyYWXSJMVRWHHWPF-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
1,1-dioxo-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thian-4-amine
CID 64801230
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64799094
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine (CID 64800483) is 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine is CCC(CC)n1ccc(CNC(C2CC2)C2CC2)n1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is YWXSJMVRWHHWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15(4-2)19-10-9-14(18-19)11-17-16(12-5-6-12)13-7-8-13/h9-10,12-13,15-17H,3-8,11H2,1-2H3.
What are the key properties of 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 64800483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).