N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine

C18H32N2S — CID 80719640

IUPACN-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC(C)C)sc1C)C1CC1
InChIInChI=1S/C18H32N2S/c1-5-6-9-20(17-7-8-17)13-16-10-18(21-15(16)4)12-19-11-14(2)3/h10,14,17,19H,5-9,11-13H2,1-4H3
InChIKeyUFXJSKVSVWBBBN-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.57
Rot. Bonds10

About N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine

N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine (PubChem CID 80719640) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
PubChem CID80719640
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC(C)C)sc1C)C1CC1
InChIInChI=1S/C18H32N2S/c1-5-6-9-20(17-7-8-17)13-16-10-18(21-15(16)4)12-19-11-14(2)3/h10,14,17,19H,5-9,11-13H2,1-4H3
InChIKeyUFXJSKVSVWBBBN-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine (CID 80719640) is N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine is CCCCN(Cc1cc(CNCC(C)C)sc1C)C1CC1.
What is the InChIKey of N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The InChIKey is UFXJSKVSVWBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-6-9-20(17-7-8-17)13-16-10-18(21-15(16)4)12-19-11-14(2)3/h10,14,17,19H,5-9,11-13H2,1-4H3.
What are the key properties of N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine has a molecular weight of 308.54 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80719640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).