N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine

C11H20N4 — CID 83863202

IUPACN,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine
SMILESCCN(CC)c1n[nH]c2c1CCNCC2
InChIInChI=1S/C11H20N4/c1-3-15(4-2)11-9-5-7-12-8-6-10(9)13-14-11/h12H,3-8H2,1-2H3,(H,13,14)
InChIKeyRIZNYWOAPJQOHZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.94
Rot. Bonds3

About N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine

N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine (PubChem CID 83863202) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine
PubChem CID83863202
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine
SMILESCCN(CC)c1n[nH]c2c1CCNCC2
InChIInChI=1S/C11H20N4/c1-3-15(4-2)11-9-5-7-12-8-6-10(9)13-14-11/h12H,3-8H2,1-2H3,(H,13,14)
InChIKeyRIZNYWOAPJQOHZ-UHFFFAOYSA-N
XLogP0.94
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine?
The IUPAC name of N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine (CID 83863202) is N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine.
What is the SMILES notation for N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine?
The canonical SMILES for N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine is CCN(CC)c1n[nH]c2c1CCNCC2.
What is the InChIKey of N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine?
The InChIKey is RIZNYWOAPJQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15(4-2)11-9-5-7-12-8-6-10(9)13-14-11/h12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine?
N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine is sourced from PubChem (CID 83863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).