cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine

C14H17N5 — CID 58557534

IUPACcis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine
SMILESC[C@@H]1C[C@H](N)CC1c1cnc2cnc3[nH]ccc3n12
InChIInChI=1S/C14H17N5/c1-8-4-9(15)5-10(8)12-6-17-13-7-18-14-11(19(12)13)2-3-16-14/h2-3,6-10,16H,4-5,15H2,1H3/t8-,9+,10?/m1/s1
InChIKeyKPYMPRAAVFVPGM-ZDGBYWQASA-N
MW255.32 g/mol
LogP2.05
Rot. Bonds1

About cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine

cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine (PubChem CID 58557534) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine
PubChem CID58557534
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Namecis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine
SMILESC[C@@H]1C[C@H](N)CC1c1cnc2cnc3[nH]ccc3n12
InChIInChI=1S/C14H17N5/c1-8-4-9(15)5-10(8)12-6-17-13-7-18-14-11(19(12)13)2-3-16-14/h2-3,6-10,16H,4-5,15H2,1H3/t8-,9+,10?/m1/s1
InChIKeyKPYMPRAAVFVPGM-ZDGBYWQASA-N
XLogP2.05
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine (CID 58557534) is cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine is C[C@@H]1C[C@H](N)CC1c1cnc2cnc3[nH]ccc3n12.
What is the InChIKey of cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine?
The InChIKey is KPYMPRAAVFVPGM-ZDGBYWQASA-N. The full InChI is InChI=1S/C14H17N5/c1-8-4-9(15)5-10(8)12-6-17-13-7-18-14-11(19(12)13)2-3-16-14/h2-3,6-10,16H,4-5,15H2,1H3/t8-,9+,10?/m1/s1.
What are the key properties of cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine is sourced from PubChem (CID 58557534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).