N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine

C12H30BN3 — CID 18763880

IUPACN-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine
SMILESCC(C)CNB(NCC(C)C)NCC(C)C
InChIInChI=1S/C12H30BN3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3
InChIKeyXNUWGRZVZAODKE-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.71
Rot. Bonds9

About N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine

N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine (PubChem CID 18763880) has the molecular formula C12H30BN3 and a molecular weight of 227.20 g/mol. Its IUPAC name is N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine
PubChem CID18763880
Molecular FormulaC12H30BN3
Molecular Weight227.20 g/mol
Exact Mass227.25
IUPAC NameN-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine
SMILESCC(C)CNB(NCC(C)C)NCC(C)C
InChIInChI=1S/C12H30BN3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3
InChIKeyXNUWGRZVZAODKE-UHFFFAOYSA-N
XLogP1.71
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-methylpropylcyanamide
CID 21399032
tris(2-methylpropylamino) borate
CID 18764137
2-methyl-N-propan-2-yloxypropan-1-amine
CID 123783708
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
N-(2-methylpropyl)hydroxylamine;hydrate
CID 175590115
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
1-(2-methylpropylamino)oxypropan-2-one
CID 23150488
2-(2-methylpropylamino)oxyacetamide
CID 112672654
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
2-methyl-N-(silylmethyl)propan-1-amine
CID 175599866

Frequently Asked Questions

What is the IUPAC name of N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine?
The IUPAC name of N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine (CID 18763880) is N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine.
What is the SMILES notation for N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine?
The canonical SMILES for N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine is CC(C)CNB(NCC(C)C)NCC(C)C.
What is the InChIKey of N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine?
The InChIKey is XNUWGRZVZAODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30BN3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12,14-16H,7-9H2,1-6H3.
What are the key properties of N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine?
N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine has a molecular weight of 227.20 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-methylpropylamino)boranyl-2-methylpropan-1-amine is sourced from PubChem (CID 18763880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).