N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine

C23H49NSn — CID 11026878

IUPACN-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
SMILESCCCCNC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H22N.3C4H9.Sn/c1-2-3-9-12-10-11-7-5-4-6-8-11;3*1-3-4-2;/h10-12H,2-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyKOWWQANHZWSMNX-UHFFFAOYSA-N
MW458.36 g/mol
LogP7.71
Rot. Bonds15

About N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine

N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine (PubChem CID 11026878) has the molecular formula C23H49NSn and a molecular weight of 458.36 g/mol. Its IUPAC name is N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
PubChem CID11026878
Molecular FormulaC23H49NSn
Molecular Weight458.36 g/mol
Exact Mass459.29
IUPAC NameN-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
SMILESCCCCNC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H22N.3C4H9.Sn/c1-2-3-9-12-10-11-7-5-4-6-8-11;3*1-3-4-2;/h10-12H,2-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyKOWWQANHZWSMNX-UHFFFAOYSA-N
XLogP7.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-cyclopentylbutan-1-amine
CID 173232536
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
CID 11134330
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
CID 177418456
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
dibutyl-(1-cyclohexylbutyl)-methylstannane
CID 150183423
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-butylcyclohexanamine;molecular hydrogen
CID 143047743

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine?
The IUPAC name of N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine (CID 11026878) is N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine.
What is the SMILES notation for N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine?
The canonical SMILES for N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine is CCCCNC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine?
The InChIKey is KOWWQANHZWSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N.3C4H9.Sn/c1-2-3-9-12-10-11-7-5-4-6-8-11;3*1-3-4-2;/h10-12H,2-9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine?
N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine has a molecular weight of 458.36 g/mol, XLogP of 7.71, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine is sourced from PubChem (CID 11026878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).