CID 170749198

C8H18BN — CID 170749198

IUPAC—
SMILES[B]C(CC)(CC)CCCN
InChIInChI=1S/C8H18BN/c1-3-8(9,4-2)6-5-7-10/h3-7,10H2,1-2H3
InChIKeyAKMUAQXMJVEMOQ-UHFFFAOYSA-N
MW139.05 g/mol
LogP1.87
Rot. Bonds5

About CID 170749198

CID 170749198 (PubChem CID 170749198) has the molecular formula C8H18BN and a molecular weight of 139.05 g/mol.

Molecular Properties

Compound NameCID 170749198
PubChem CID170749198
Molecular FormulaC8H18BN
Molecular Weight139.05 g/mol
Exact Mass139.15
IUPAC Name—
SMILES[B]C(CC)(CC)CCCN
InChIInChI=1S/C8H18BN/c1-3-8(9,4-2)6-5-7-10/h3-7,10H2,1-2H3
InChIKeyAKMUAQXMJVEMOQ-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-ethylhexan-1-amine
CID 54264302
3,3-diethylhexane-1,6-diamine
CID 89464851
18,18-diethylicosan-1-amine
CID 87504312
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
4,4-dimethylpentan-1-amine
CID 14454757
4,4-dipentylnonan-1-amine
CID 88632324
ethyl(trimethyl)silane;3-trimethylsilylpropan-1-amine
CID 90988391
CID 123474410
CID 123474410
1,5-diamino-2-ethyl-2-methylpentan-1-ol
CID 87944830
9,9,10-triethyldodecane-1,10-diamine
CID 22292334
3-[dimethoxy(methyl)silyl]-3-ethylpentan-1-amine
CID 54410640
calcium;hexan-1-amine;difluoride
CID 160795934

Frequently Asked Questions

What is the IUPAC name of CID 170749198?
The IUPAC name of CID 170749198 (CID 170749198) is not available.
What is the SMILES notation for CID 170749198?
The canonical SMILES for CID 170749198 is [B]C(CC)(CC)CCCN.
What is the InChIKey of CID 170749198?
The InChIKey is AKMUAQXMJVEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BN/c1-3-8(9,4-2)6-5-7-10/h3-7,10H2,1-2H3.
What are the key properties of CID 170749198?
CID 170749198 has a molecular weight of 139.05 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170749198 is sourced from PubChem (CID 170749198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).