N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine

C14H20N4 — CID 15195705

IUPACN-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
SMILESCCCNc1nccc2c1=NC1(CCCCC1)N=2
InChIInChI=1S/C14H20N4/c1-2-9-15-13-12-11(6-10-16-13)17-14(18-12)7-4-3-5-8-14/h6,10H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyKIOBYUCZGXKYBS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds3

About N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine

N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine (PubChem CID 15195705) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine.

Molecular Properties

Compound NameN-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
PubChem CID15195705
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
SMILESCCCNc1nccc2c1=NC1(CCCCC1)N=2
InChIInChI=1S/C14H20N4/c1-2-9-15-13-12-11(6-10-16-13)17-14(18-12)7-4-3-5-8-14/h6,10H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyKIOBYUCZGXKYBS-UHFFFAOYSA-N
XLogP1.82
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
CID 15195700

Frequently Asked Questions

What is the IUPAC name of N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The IUPAC name of N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine (CID 15195705) is N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine.
What is the SMILES notation for N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The canonical SMILES for N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine is CCCNc1nccc2c1=NC1(CCCCC1)N=2.
What is the InChIKey of N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
The InChIKey is KIOBYUCZGXKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-9-15-13-12-11(6-10-16-13)17-14(18-12)7-4-3-5-8-14/h6,10H,2-5,7-9H2,1H3,(H,15,16).
What are the key properties of N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine?
N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine has a molecular weight of 244.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine is sourced from PubChem (CID 15195705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).