2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine

C16H25NO — CID 62712993

IUPAC2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(C2CC2C)o1
InChIInChI=1S/C16H25NO/c1-10(2)8-17-9-12-7-14(12)16-5-4-15(18-16)13-6-11(13)3/h4-5,10-14,17H,6-9H2,1-3H3
InChIKeyGNXZZWUCQUUEIG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds6

About 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine

2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine (PubChem CID 62712993) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
PubChem CID62712993
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(C2CC2C)o1
InChIInChI=1S/C16H25NO/c1-10(2)8-17-9-12-7-14(12)16-5-4-15(18-16)13-6-11(13)3/h4-5,10-14,17H,6-9H2,1-3H3
InChIKeyGNXZZWUCQUUEIG-UHFFFAOYSA-N
XLogP3.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine (CID 62712993) is 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1CC1c1ccc(C2CC2C)o1.
What is the InChIKey of 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is GNXZZWUCQUUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)8-17-9-12-7-14(12)16-5-4-15(18-16)13-6-11(13)3/h4-5,10-14,17H,6-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62712993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).