N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine

C12H21NOS — CID 62576135

IUPACN-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)SCc1ccco1
InChIInChI=1S/C12H21NOS/c1-10(2)7-13-8-11(3)15-9-12-5-4-6-14-12/h4-6,10-11,13H,7-9H2,1-3H3
InChIKeyHAMJEOBNHQSZLB-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine

N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine (PubChem CID 62576135) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
PubChem CID62576135
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)SCc1ccco1
InChIInChI=1S/C12H21NOS/c1-10(2)7-13-8-11(3)15-9-12-5-4-6-14-12/h4-6,10-11,13H,7-9H2,1-3H3
InChIKeyHAMJEOBNHQSZLB-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethylsulfanyl)pentanehydrazide
CID 63581757
N-[[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63808491
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
CID 79438464
2-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83046443
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine (CID 62576135) is N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)SCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine?
The InChIKey is HAMJEOBNHQSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)7-13-8-11(3)15-9-12-5-4-6-14-12/h4-6,10-11,13H,7-9H2,1-3H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine?
N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62576135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).