N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine

C15H35BN2 — CID 87644910

IUPACN-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine
SMILESCCCB(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C15H35BN2/c1-6-11-16(17(12-7-2)13-8-3)18(14-9-4)15-10-5/h6-15H2,1-5H3
InChIKeyCPSJQAMBYXECFE-UHFFFAOYSA-N
MW254.27 g/mol
LogP4.13
Rot. Bonds12

About N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine

N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine (PubChem CID 87644910) has the molecular formula C15H35BN2 and a molecular weight of 254.27 g/mol. Its IUPAC name is N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine
PubChem CID87644910
Molecular FormulaC15H35BN2
Molecular Weight254.27 g/mol
Exact Mass254.29
IUPAC NameN-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine
SMILESCCCB(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C15H35BN2/c1-6-11-16(17(12-7-2)13-8-3)18(14-9-4)15-10-5/h6-15H2,1-5H3
InChIKeyCPSJQAMBYXECFE-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine 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-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210
N,N-bis(dichlorosilyl)propan-1-amine
CID 172861548
argon;butane
CID 157343960
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
dimethyl(propyl)borane;methane
CID 161304479
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
diethyl(propyl)borane
CID 535107
N-oxido-N-propylbutan-1-amine
CID 141004980
tris(N,N-dipropylthiohydroxylamine);trihydrofluoride
CID 173050625
N,N-diethylpropan-1-amine;methane
CID 144711865

Frequently Asked Questions

What is the IUPAC name of N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine (CID 87644910) is N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine is CCCB(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine?
The InChIKey is CPSJQAMBYXECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35BN2/c1-6-11-16(17(12-7-2)13-8-3)18(14-9-4)15-10-5/h6-15H2,1-5H3.
What are the key properties of N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine?
N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine has a molecular weight of 254.27 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)-propylboranyl]-N-propylpropan-1-amine is sourced from PubChem (CID 87644910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).