N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine

C16H31N3O — CID 63727556

IUPACN,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
SMILESCc1oc(CNC(C)C)cc1CN(C)CCCN(C)C
InChIInChI=1S/C16H31N3O/c1-13(2)17-11-16-10-15(14(3)20-16)12-19(6)9-7-8-18(4)5/h10,13,17H,7-9,11-12H2,1-6H3
InChIKeySJJHCVKAPNUKIY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.47
Rot. Bonds9

About N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine (PubChem CID 63727556) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
PubChem CID63727556
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
SMILESCc1oc(CNC(C)C)cc1CN(C)CCCN(C)C
InChIInChI=1S/C16H31N3O/c1-13(2)17-11-16-10-15(14(3)20-16)12-19(6)9-7-8-18(4)5/h10,13,17H,7-9,11-12H2,1-6H3
InChIKeySJJHCVKAPNUKIY-UHFFFAOYSA-N
XLogP2.47
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]propane-1,3-diamine
CID 55227948
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine (CID 63727556) is N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine is Cc1oc(CNC(C)C)cc1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine?
The InChIKey is SJJHCVKAPNUKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)17-11-16-10-15(14(3)20-16)12-19(6)9-7-8-18(4)5/h10,13,17H,7-9,11-12H2,1-6H3.
What are the key properties of N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine has a molecular weight of 281.44 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 63727556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).