1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine

C14H26N4 — CID 79069976

IUPAC1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(CC(N)C2(N(C)C)CCCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-11-9-12(18(4)16-11)10-13(15)14(17(2)3)7-5-6-8-14/h9,13H,5-8,10,15H2,1-4H3
InChIKeyYPNNAFPBXSMMCT-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.47
Rot. Bonds4

About 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine

1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79069976) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79069976
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(CC(N)C2(N(C)C)CCCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-11-9-12(18(4)16-11)10-13(15)14(17(2)3)7-5-6-8-14/h9,13H,5-8,10,15H2,1-4H3
InChIKeyYPNNAFPBXSMMCT-UHFFFAOYSA-N
XLogP1.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine (CID 79069976) is 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine is Cc1cc(CC(N)C2(N(C)C)CCCC2)n(C)n1.
What is the InChIKey of 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is YPNNAFPBXSMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-9-12(18(4)16-11)10-13(15)14(17(2)3)7-5-6-8-14/h9,13H,5-8,10,15H2,1-4H3.
What are the key properties of 1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine?
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.47, 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-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79069976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).