N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C15H24N2OS — CID 82835300

IUPACN-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(Cc2ccsc2)C2CC2)O1
InChIInChI=1S/C15H24N2OS/c1-11-2-5-15(18-11)14(8-16)17(13-3-4-13)9-12-6-7-19-10-12/h6-7,10-11,13-15H,2-5,8-9,16H2,1H3
InChIKeyKMHZMWONKVLWOX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.61
Rot. Bonds6

About N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 82835300) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID82835300
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(Cc2ccsc2)C2CC2)O1
InChIInChI=1S/C15H24N2OS/c1-11-2-5-15(18-11)14(8-16)17(13-3-4-13)9-12-6-7-19-10-12/h6-7,10-11,13-15H,2-5,8-9,16H2,1H3
InChIKeyKMHZMWONKVLWOX-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835825
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 82835300) is N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CC1CCC(C(CN)N(Cc2ccsc2)C2CC2)O1.
What is the InChIKey of N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is KMHZMWONKVLWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-2-5-15(18-11)14(8-16)17(13-3-4-13)9-12-6-7-19-10-12/h6-7,10-11,13-15H,2-5,8-9,16H2,1H3.
What are the key properties of N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 82835300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).