N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine

C15H24N2OS — CID 71932864

IUPACN-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
SMILESCc1ccc(C(CNCC2CC2)N2CCOCC2)s1
InChIInChI=1S/C15H24N2OS/c1-12-2-5-15(19-12)14(11-16-10-13-3-4-13)17-6-8-18-9-7-17/h2,5,13-14,16H,3-4,6-11H2,1H3
InChIKeyIISNFCJZAYEZOT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.43
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine

N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine (PubChem CID 71932864) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
PubChem CID71932864
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
SMILESCc1ccc(C(CNCC2CC2)N2CCOCC2)s1
InChIInChI=1S/C15H24N2OS/c1-12-2-5-15(19-12)14(11-16-10-13-3-4-13)17-6-8-18-9-7-17/h2,5,13-14,16H,3-4,6-11H2,1H3
InChIKeyIISNFCJZAYEZOT-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine (CID 71932864) is N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine is Cc1ccc(C(CNCC2CC2)N2CCOCC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine?
The InChIKey is IISNFCJZAYEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-2-5-15(19-12)14(11-16-10-13-3-4-13)17-6-8-18-9-7-17/h2,5,13-14,16H,3-4,6-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine?
N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 71932864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).