[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

C16H25N3O — CID 75529271

IUPAC[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(CC1CC1)C2
InChIInChI=1S/C16H25N3O/c1-12-3-6-14-10-19(9-13-4-5-13)8-7-15(11-20)18(2)16(14)17-12/h3,6,13,15,20H,4-5,7-11H2,1-2H3/t15-/m0/s1
InChIKeyMOFKCFJZIXAKHF-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds3

About [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 75529271) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID75529271
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(CC1CC1)C2
InChIInChI=1S/C16H25N3O/c1-12-3-6-14-10-19(9-13-4-5-13)8-7-15(11-20)18(2)16(14)17-12/h3,6,13,15,20H,4-5,7-11H2,1-2H3/t15-/m0/s1
InChIKeyMOFKCFJZIXAKHF-HNNXBMFYSA-N
XLogP1.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 75529271) is [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CC1CC1)C2.
What is the InChIKey of [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is MOFKCFJZIXAKHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-3-6-14-10-19(9-13-4-5-13)8-7-15(11-20)18(2)16(14)17-12/h3,6,13,15,20H,4-5,7-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 275.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(cyclopropylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 75529271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).