1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine

C17H30N2O2 — CID 83178387

IUPAC1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccco1)C(C)(CC)N1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-4-8-18-16(14-15-7-6-11-21-15)17(3,5-2)19-9-12-20-13-10-19/h6-7,11,16,18H,4-5,8-10,12-14H2,1-3H3
InChIKeyQKCUUMCEOTXRJA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.69
Rot. Bonds8

About 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine

1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine (PubChem CID 83178387) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
PubChem CID83178387
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccco1)C(C)(CC)N1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-4-8-18-16(14-15-7-6-11-21-15)17(3,5-2)19-9-12-20-13-10-19/h6-7,11,16,18H,4-5,8-10,12-14H2,1-3H3
InChIKeyQKCUUMCEOTXRJA-UHFFFAOYSA-N
XLogP2.69
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine?
The IUPAC name of 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine (CID 83178387) is 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine is CCCNC(Cc1ccco1)C(C)(CC)N1CCOCC1.
What is the InChIKey of 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine?
The InChIKey is QKCUUMCEOTXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-8-18-16(14-15-7-6-11-21-15)17(3,5-2)19-9-12-20-13-10-19/h6-7,11,16,18H,4-5,8-10,12-14H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine?
1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine is sourced from PubChem (CID 83178387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).