N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine

C14H28N2OS — CID 62263880

IUPACN-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine
SMILESCCCNCC1(CN(C)C2CCSC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-3-6-15-10-14(5-7-17-12-14)11-16(2)13-4-8-18-9-13/h13,15H,3-12H2,1-2H3
InChIKeyPBDBDIAMJQACQK-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.83
Rot. Bonds7

About N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine

N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine (PubChem CID 62263880) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine
PubChem CID62263880
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine
SMILESCCCNCC1(CN(C)C2CCSC2)CCOC1
InChIInChI=1S/C14H28N2OS/c1-3-6-15-10-14(5-7-17-12-14)11-16(2)13-4-8-18-9-13/h13,15H,3-12H2,1-2H3
InChIKeyPBDBDIAMJQACQK-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine (CID 62263880) is N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine is CCCNCC1(CN(C)C2CCSC2)CCOC1.
What is the InChIKey of N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine?
The InChIKey is PBDBDIAMJQACQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-3-6-15-10-14(5-7-17-12-14)11-16(2)13-4-8-18-9-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine?
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine has a molecular weight of 272.46 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 62263880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).