CID 137019099

C8H19BN2- — CID 137019099

IUPAC—
SMILES[B-]N(C)CCCCCCNC
InChIInChI=1S/C8H19BN2/c1-10-7-5-3-4-6-8-11(2)9/h10H,3-8H2,1-2H3/q-1
InChIKeyJJUXZOJBKDZVON-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.78
Rot. Bonds7

About CID 137019099

CID 137019099 (PubChem CID 137019099) has the molecular formula C8H19BN2- and a molecular weight of 154.07 g/mol.

Molecular Properties

Compound NameCID 137019099
PubChem CID137019099
Molecular FormulaC8H19BN2-
Molecular Weight154.07 g/mol
Exact Mass154.16
IUPAC Name—
SMILES[B-]N(C)CCCCCCNC
InChIInChI=1S/C8H19BN2/c1-10-7-5-3-4-6-8-11(2)9/h10H,3-8H2,1-2H3/q-1
InChIKeyJJUXZOJBKDZVON-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 137019099 with MolForge

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

Launch Full Analysis

Related Compounds

N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398

Frequently Asked Questions

What is the IUPAC name of CID 137019099?
The IUPAC name of CID 137019099 (CID 137019099) is not available.
What is the SMILES notation for CID 137019099?
The canonical SMILES for CID 137019099 is [B-]N(C)CCCCCCNC.
What is the InChIKey of CID 137019099?
The InChIKey is JJUXZOJBKDZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BN2/c1-10-7-5-3-4-6-8-11(2)9/h10H,3-8H2,1-2H3/q-1.
What are the key properties of CID 137019099?
CID 137019099 has a molecular weight of 154.07 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137019099 is sourced from PubChem (CID 137019099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).