N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine

C12H28BN — CID 174071883

IUPACN-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine
SMILESCCNC(C)CC(CC)B(C)C(C)C
InChIInChI=1S/C12H28BN/c1-7-12(13(6)10(3)4)9-11(5)14-8-2/h10-12,14H,7-9H2,1-6H3
InChIKeyAHLLMRVTHDQGET-UHFFFAOYSA-N
MW197.17 g/mol
LogP3.69
Rot. Bonds7

About N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine

N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine (PubChem CID 174071883) has the molecular formula C12H28BN and a molecular weight of 197.17 g/mol. Its IUPAC name is N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine
PubChem CID174071883
Molecular FormulaC12H28BN
Molecular Weight197.17 g/mol
Exact Mass197.23
IUPAC NameN-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine
SMILESCCNC(C)CC(CC)B(C)C(C)C
InChIInChI=1S/C12H28BN/c1-7-12(13(6)10(3)4)9-11(5)14-8-2/h10-12,14H,7-9H2,1-6H3
InChIKeyAHLLMRVTHDQGET-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 53.69
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

5-(ethylamino)hexan-3-ol
CID 140740980
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
N-ethyl-4-(2-methoxyethoxy)pentan-2-amine
CID 64708312
2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine
CID 64708210
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
2-(ethylamino)tetradecan-4-ol
CID 174619810
N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
CID 64703230
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
4-butylsulfonyl-N-ethylpentan-2-amine
CID 64704591
2-N-ethyl-1-N-phosphanylpropane-1,2-diamine
CID 59810987
N-ethyl-5-methylhexan-2-amine
CID 24689543
(2S)-N-ethyl-4,4-diphenylbutan-2-amine
CID 92981582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine?
The IUPAC name of N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine (CID 174071883) is N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine.
What is the SMILES notation for N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine?
The canonical SMILES for N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine is CCNC(C)CC(CC)B(C)C(C)C.
What is the InChIKey of N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine?
The InChIKey is AHLLMRVTHDQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28BN/c1-7-12(13(6)10(3)4)9-11(5)14-8-2/h10-12,14H,7-9H2,1-6H3.
What are the key properties of N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine?
N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine has a molecular weight of 197.17 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[methyl(propan-2-yl)boranyl]hexan-2-amine is sourced from PubChem (CID 174071883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).