CID 174073558

C16H27BN2 — CID 174073558

IUPAC—
SMILES[B]C1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C16H27BN2/c1-11(2)18-16-10-13-9-14(17)7-5-6-8-15(13)19(16)12(3)4/h11-12,14H,5-10H2,1-4H3/b18-16+
InChIKeyXSXVCANSHIAKSB-FBMGVBCBSA-N
MW258.22 g/mol
LogP4.08
Rot. Bonds2

About CID 174073558

CID 174073558 (PubChem CID 174073558) has the molecular formula C16H27BN2 and a molecular weight of 258.22 g/mol.

Molecular Properties

Compound NameCID 174073558
PubChem CID174073558
Molecular FormulaC16H27BN2
Molecular Weight258.22 g/mol
Exact Mass258.23
IUPAC Name—
SMILES[B]C1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C16H27BN2/c1-11(2)18-16-10-13-9-14(17)7-5-6-8-15(13)19(16)12(3)4/h11-12,14H,5-10H2,1-4H3/b18-16+
InChIKeyXSXVCANSHIAKSB-FBMGVBCBSA-N
XLogP4.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrole-2-thione
CID 155351256
N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
CID 166733275
2-methyl-N-propan-2-ylcyclohexan-1-imine
CID 11263611
N,2-di(propan-2-yl)cyclohexan-1-imine
CID 162470780
N,4,4-trimethyl-1-propan-2-yl-3,5,6,7-tetrahydroindol-2-imine
CID 155351240
1-cyclohexyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56607994
8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
CID 166753041
3-(propan-2-yloxymethyl)cycloheptan-1-one
CID 79568765
2-(1-nitrosoethyl)cyclotridecan-1-one
CID 91250049
1-N,2-N-bis(3-nitrosobutan-2-yl)cyclohexane-1,2-diamine
CID 54452327
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
CID 102580844
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059

Frequently Asked Questions

What is the IUPAC name of CID 174073558?
The IUPAC name of CID 174073558 (CID 174073558) is not available.
What is the SMILES notation for CID 174073558?
The canonical SMILES for CID 174073558 is [B]C1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1.
What is the InChIKey of CID 174073558?
The InChIKey is XSXVCANSHIAKSB-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H27BN2/c1-11(2)18-16-10-13-9-14(17)7-5-6-8-15(13)19(16)12(3)4/h11-12,14H,5-10H2,1-4H3/b18-16+.
What are the key properties of CID 174073558?
CID 174073558 has a molecular weight of 258.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174073558 is sourced from PubChem (CID 174073558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).