1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine

C14H24N2OS — CID 55021814

IUPAC1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)CC1CCCCO1
InChIInChI=1S/C14H24N2OS/c1-11(15)14(13-7-5-9-18-13)16(2)10-12-6-3-4-8-17-12/h5,7,9,11-12,14H,3-4,6,8,10,15H2,1-2H3
InChIKeyLLMSMZDPXPUQKQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.64
Rot. Bonds5

About 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine

1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine (PubChem CID 55021814) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
PubChem CID55021814
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)CC1CCCCO1
InChIInChI=1S/C14H24N2OS/c1-11(15)14(13-7-5-9-18-13)16(2)10-12-6-3-4-8-17-12/h5,7,9,11-12,14H,3-4,6,8,10,15H2,1-2H3
InChIKeyLLMSMZDPXPUQKQ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020930
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
N-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 124606298
2-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
1-(1-benzothiophen-3-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62698125
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine (CID 55021814) is 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine is CC(N)C(c1cccs1)N(C)CC1CCCCO1.
What is the InChIKey of 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is LLMSMZDPXPUQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(15)14(13-7-5-9-18-13)16(2)10-12-6-3-4-8-17-12/h5,7,9,11-12,14H,3-4,6,8,10,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine?
1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55021814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).