N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine

C17H24N2S — CID 62975731

IUPACN'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1c(C(C)NCCN(C)C2CC2)sc2ccccc12
InChIInChI=1S/C17H24N2S/c1-12-15-6-4-5-7-16(15)20-17(12)13(2)18-10-11-19(3)14-8-9-14/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyLIKHOKKNNYZILT-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.95
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62975731) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62975731
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
SMILESCc1c(C(C)NCCN(C)C2CC2)sc2ccccc12
InChIInChI=1S/C17H24N2S/c1-12-15-6-4-5-7-16(15)20-17(12)13(2)18-10-11-19(3)14-8-9-14/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyLIKHOKKNNYZILT-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine (CID 62975731) is N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine is Cc1c(C(C)NCCN(C)C2CC2)sc2ccccc12.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is LIKHOKKNNYZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-15-6-4-5-7-16(15)20-17(12)13(2)18-10-11-19(3)14-8-9-14/h4-7,13-14,18H,8-11H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).