1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine

C15H28N4 — CID 79081869

IUPAC1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2cnn(C)c2)CCCCCC1
InChIInChI=1S/C15H28N4/c1-18(2)15(8-6-4-5-7-9-15)14(16)10-13-11-17-19(3)12-13/h11-12,14H,4-10,16H2,1-3H3
InChIKeyGUZADSDYGDOTJC-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.94
Rot. Bonds4

About 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79081869) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79081869
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2cnn(C)c2)CCCCCC1
InChIInChI=1S/C15H28N4/c1-18(2)15(8-6-4-5-7-9-15)14(16)10-13-11-17-19(3)12-13/h11-12,14H,4-10,16H2,1-3H3
InChIKeyGUZADSDYGDOTJC-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069650
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080658
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
N,N-diethyl-1-[1-hydrazinyl-2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 105242672
1-[1-amino-2-(4-iodophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081776
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
[2-(1-methylpyrazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242848

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79081869) is 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)Cc2cnn(C)c2)CCCCCC1.
What is the InChIKey of 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is GUZADSDYGDOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18(2)15(8-6-4-5-7-9-15)14(16)10-13-11-17-19(3)12-13/h11-12,14H,4-10,16H2,1-3H3.
What are the key properties of 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79081869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).