N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine

C10H13N3 — CID 134504066

IUPACN,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
SMILESCN(C)C1=CCC=c2nc[nH]c2=C1
InChIInChI=1S/C10H13N3/c1-13(2)8-4-3-5-9-10(6-8)12-7-11-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyDINYLJUQAGFTIW-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.18
Rot. Bonds1

About N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine

N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine (PubChem CID 134504066) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
PubChem CID134504066
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
SMILESCN(C)C1=CCC=c2nc[nH]c2=C1
InChIInChI=1S/C10H13N3/c1-13(2)8-4-3-5-9-10(6-8)12-7-11-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyDINYLJUQAGFTIW-UHFFFAOYSA-N
XLogP-0.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine?
The IUPAC name of N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine (CID 134504066) is N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine?
The canonical SMILES for N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine is CN(C)C1=CCC=c2nc[nH]c2=C1.
What is the InChIKey of N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine?
The InChIKey is DINYLJUQAGFTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)8-4-3-5-9-10(6-8)12-7-11-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine?
N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine is sourced from PubChem (CID 134504066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).