N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine

C16H30N4 — CID 79584333

IUPACN-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
SMILESCc1c(C2C(CNC(C)C)CCCCN2C)cnn1C
InChIInChI=1S/C16H30N4/c1-12(2)17-10-14-8-6-7-9-19(4)16(14)15-11-18-20(5)13(15)3/h11-12,14,16-17H,6-10H2,1-5H3
InChIKeyRHZWXAZCHFFKEF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds4

About N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine

N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine (PubChem CID 79584333) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
PubChem CID79584333
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
SMILESCc1c(C2C(CNC(C)C)CCCCN2C)cnn1C
InChIInChI=1S/C16H30N4/c1-12(2)17-10-14-8-6-7-9-19(4)16(14)15-11-18-20(5)13(15)3/h11-12,14,16-17H,6-10H2,1-5H3
InChIKeyRHZWXAZCHFFKEF-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 79584422
[2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 79584237
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 113329208
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 79977325
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine (CID 79584333) is N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine is Cc1c(C2C(CNC(C)C)CCCCN2C)cnn1C.
What is the InChIKey of N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine?
The InChIKey is RHZWXAZCHFFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)17-10-14-8-6-7-9-19(4)16(14)15-11-18-20(5)13(15)3/h11-12,14,16-17H,6-10H2,1-5H3.
What are the key properties of N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine?
N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79584333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).