[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine

C16H28N4 — CID 114557755

IUPAC[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
SMILESCCCn1nccc1C1C(CN)CCCCN1C1CC1
InChIInChI=1S/C16H28N4/c1-2-10-20-15(8-9-18-20)16-13(12-17)5-3-4-11-19(16)14-6-7-14/h8-9,13-14,16H,2-7,10-12,17H2,1H3
InChIKeyLSFLNFOJRWNRPJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.56
Rot. Bonds5

About [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine

[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine (PubChem CID 114557755) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
PubChem CID114557755
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
SMILESCCCn1nccc1C1C(CN)CCCCN1C1CC1
InChIInChI=1S/C16H28N4/c1-2-10-20-15(8-9-18-20)16-13(12-17)5-3-4-11-19(16)14-6-7-14/h8-9,13-14,16H,2-7,10-12,17H2,1H3
InChIKeyLSFLNFOJRWNRPJ-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
CID 114557828
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
CID 103348592
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114554500
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine?
The IUPAC name of [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine (CID 114557755) is [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine is CCCn1nccc1C1C(CN)CCCCN1C1CC1.
What is the InChIKey of [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine?
The InChIKey is LSFLNFOJRWNRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-10-20-15(8-9-18-20)16-13(12-17)5-3-4-11-19(16)14-6-7-14/h8-9,13-14,16H,2-7,10-12,17H2,1H3.
What are the key properties of [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine?
[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine has a molecular weight of 276.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine is sourced from PubChem (CID 114557755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).