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

C16H25N3O — CID 162821718

IUPAC(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
SMILESCc1ccc2c(n1)N(C)C(CO)CCN(C1CCC1)C2
InChIInChI=1S/C16H25N3O/c1-12-6-7-13-10-19(14-4-3-5-14)9-8-15(11-20)18(2)16(13)17-12/h6-7,14-15,20H,3-5,8-11H2,1-2H3
InChIKeyURFCTOLFWWXTCX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.95
Rot. Bonds2

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

(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol (PubChem CID 162821718) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol.

Molecular Properties

Compound Name(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
PubChem CID162821718
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
SMILESCc1ccc2c(n1)N(C)C(CO)CCN(C1CCC1)C2
InChIInChI=1S/C16H25N3O/c1-12-6-7-13-10-19(14-4-3-5-14)9-8-15(11-20)18(2)16(13)17-12/h6-7,14-15,20H,3-5,8-11H2,1-2H3
InChIKeyURFCTOLFWWXTCX-UHFFFAOYSA-N
XLogP1.95
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide
CID 163067858
[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162809588
[(2S)-5-(furan-2-ylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529281
[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
[(2S)-1,9-dimethyl-5-(quinolin-3-ylmethyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654194
[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 162793100
[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529233
[5-(cyclopropylmethyl)-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162804606
8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 134074593
[(2S)-5-[(2-chlorophenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529222

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol?
The IUPAC name of (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol (CID 162821718) is (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol.
What is the SMILES notation for (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol?
The canonical SMILES for (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol is Cc1ccc2c(n1)N(C)C(CO)CCN(C1CCC1)C2.
What is the InChIKey of (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol?
The InChIKey is URFCTOLFWWXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-7-13-10-19(14-4-3-5-14)9-8-15(11-20)18(2)16(13)17-12/h6-7,14-15,20H,3-5,8-11H2,1-2H3.
What are the key properties of (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol?
(5-cyclobutyl-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 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol is sourced from PubChem (CID 162821718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).