CID 89020511

C11H18BN3O — CID 89020511

IUPAC—
SMILES[B]c1cc(N)c(NC(CC)CC)nc1OC
InChIInChI=1S/C11H18BN3O/c1-4-7(5-2)14-10-9(13)6-8(12)11(15-10)16-3/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyHJDNMLZHDIJDCU-UHFFFAOYSA-N
MW219.10 g/mol
LogP1.07
Rot. Bonds5

About CID 89020511

CID 89020511 (PubChem CID 89020511) has the molecular formula C11H18BN3O and a molecular weight of 219.10 g/mol.

Molecular Properties

Compound NameCID 89020511
PubChem CID89020511
Molecular FormulaC11H18BN3O
Molecular Weight219.10 g/mol
Exact Mass219.15
IUPAC Name—
SMILES[B]c1cc(N)c(NC(CC)CC)nc1OC
InChIInChI=1S/C11H18BN3O/c1-4-7(5-2)14-10-9(13)6-8(12)11(15-10)16-3/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyHJDNMLZHDIJDCU-UHFFFAOYSA-N
XLogP1.07
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804350
2-chloro-4-N-pentan-3-ylpyrimidine-4,5-diamine
CID 58016005
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
CID 10179338
5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595026
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595034
6-butan-2-yloxy-2-methoxypyridin-3-amine
CID 60895445
5-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-methyl-N-pentan-3-ylpyrazin-2-amine
CID 22248877
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
4-methyl-2-N-pentan-3-ylpyridine-2,5-diamine
CID 79173415

Frequently Asked Questions

What is the IUPAC name of CID 89020511?
The IUPAC name of CID 89020511 (CID 89020511) is not available.
What is the SMILES notation for CID 89020511?
The canonical SMILES for CID 89020511 is [B]c1cc(N)c(NC(CC)CC)nc1OC.
What is the InChIKey of CID 89020511?
The InChIKey is HJDNMLZHDIJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BN3O/c1-4-7(5-2)14-10-9(13)6-8(12)11(15-10)16-3/h6-7H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of CID 89020511?
CID 89020511 has a molecular weight of 219.10 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89020511 is sourced from PubChem (CID 89020511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).