3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine

C11H19NOS — CID 103019853

IUPAC3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13-3)6-7-12-9-10-5-4-8-14-10/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyBPRHXEADZAEPBC-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.65
Rot. Bonds6

About 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine

3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 103019853) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID103019853
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13-3)6-7-12-9-10-5-4-8-14-10/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyBPRHXEADZAEPBC-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
CID 103026513
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine (CID 103019853) is 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine is COC(C)(C)CCNCc1cccs1.
What is the InChIKey of 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is BPRHXEADZAEPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,13-3)6-7-12-9-10-5-4-8-14-10/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 103019853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).