N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine

C27H44N2OSn — CID 22602741

IUPACN-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(OCCCCNc2ccccn2)c1
InChIInChI=1S/C15H17N2O.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-2,4-5,8-11H,6-7,12-13H2,(H,16,17);3*1,3-4H2,2H3;
InChIKeyKMSXRTRRDVMJRA-UHFFFAOYSA-N
MW531.37 g/mol
LogP7.41
Rot. Bonds17

About N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine

N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine (PubChem CID 22602741) has the molecular formula C27H44N2OSn and a molecular weight of 531.37 g/mol. Its IUPAC name is N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine
PubChem CID22602741
Molecular FormulaC27H44N2OSn
Molecular Weight531.37 g/mol
Exact Mass532.25
IUPAC NameN-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(OCCCCNc2ccccn2)c1
InChIInChI=1S/C15H17N2O.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-2,4-5,8-11H,6-7,12-13H2,(H,16,17);3*1,3-4H2,2H3;
InChIKeyKMSXRTRRDVMJRA-UHFFFAOYSA-N
XLogP7.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.37
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-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-butylpyridin-2-amine
CID 14322668
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
2-methyl-1-(3-phenoxypropyl)-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111417975
3-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid
CID 11202207
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
3-butoxy-N-octylaniline
CID 54800685
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505596
1-N-pentyl-3-[(pyridin-2-ylamino)methyl]benzene-1,2-diamine
CID 70521253

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine?
The IUPAC name of N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine (CID 22602741) is N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine?
The canonical SMILES for N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine is CCCC[Sn](CCCC)(CCCC)c1cccc(OCCCCNc2ccccn2)c1.
What is the InChIKey of N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine?
The InChIKey is KMSXRTRRDVMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O.3C4H9.Sn/c1-2-8-14(9-3-1)18-13-7-6-12-17-15-10-4-5-11-16-15;3*1-3-4-2;/h1-2,4-5,8-11H,6-7,12-13H2,(H,16,17);3*1,3-4H2,2H3;.
What are the key properties of N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine?
N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine has a molecular weight of 531.37 g/mol, XLogP of 7.41, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine is sourced from PubChem (CID 22602741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).