N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C16H30N2O — CID 55074830

IUPACN-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)Cc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C16H30N2O/c1-6-8-18(7-2)12-15-9-14(5)16(19-15)11-17-10-13(3)4/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyAHAWEOQQJAKPAI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.57
Rot. Bonds9

About N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55074830) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID55074830
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)Cc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C16H30N2O/c1-6-8-18(7-2)12-15-9-14(5)16(19-15)11-17-10-13(3)4/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyAHAWEOQQJAKPAI-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N'-ethyl-N'-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 102997544
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481157
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 55072592
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 55074830) is N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is CCCN(CC)Cc1cc(C)c(CNCC(C)C)o1.
What is the InChIKey of N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AHAWEOQQJAKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-8-18(7-2)12-15-9-14(5)16(19-15)11-17-10-13(3)4/h9,13,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55074830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).