N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

C16H29N3 — CID 66025131

IUPACN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC2(CNC(C)(C)C)CC2)n1
InChIInChI=1S/C16H29N3/c1-6-13(2)19-10-7-14(18-19)11-16(8-9-16)12-17-15(3,4)5/h7,10,13,17H,6,8-9,11-12H2,1-5H3
InChIKeyBQTQDZAIZAXMNL-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 66025131) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID66025131
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC2(CNC(C)(C)C)CC2)n1
InChIInChI=1S/C16H29N3/c1-6-13(2)19-10-7-14(18-19)11-16(8-9-16)12-17-15(3,4)5/h7,10,13,17H,6,8-9,11-12H2,1-5H3
InChIKeyBQTQDZAIZAXMNL-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 64785216
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026910
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
CID 64783123
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
3-[(1-butan-2-ylpyrazol-3-yl)methyl]oxane-3-carbonitrile
CID 65395016

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (CID 66025131) is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is CCC(C)n1ccc(CC2(CNC(C)(C)C)CC2)n1.
What is the InChIKey of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BQTQDZAIZAXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-13(2)19-10-7-14(18-19)11-16(8-9-16)12-17-15(3,4)5/h7,10,13,17H,6,8-9,11-12H2,1-5H3.
What are the key properties of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66025131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).