N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C17H26N2S — CID 106603161

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)N(CC1CCCN1)C1CCSc2ccccc21
InChIInChI=1S/C17H26N2S/c1-13(2)19(12-14-6-5-10-18-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3
InChIKeyOGRVJHPCMJGOHQ-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.69
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 106603161) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID106603161
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)N(CC1CCCN1)C1CCSc2ccccc21
InChIInChI=1S/C17H26N2S/c1-13(2)19(12-14-6-5-10-18-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3
InChIKeyOGRVJHPCMJGOHQ-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106603050
4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603015
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106621816
4-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 106622203
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618055
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 106603161) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is CC(C)N(CC1CCCN1)C1CCSc2ccccc21.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is OGRVJHPCMJGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-13(2)19(12-14-6-5-10-18-14)16-9-11-20-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 290.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 106603161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).