N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

C15H28N2O — CID 62412884

IUPACN,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCc1occc1CN(C)CC(C)CNCC(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)8-16-9-13(3)10-17(5)11-15-6-7-18-14(15)4/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyYWSQTAFMZHKRFS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.90
Rot. Bonds8

About N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62412884) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62412884
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCc1occc1CN(C)CC(C)CNCC(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)8-16-9-13(3)10-17(5)11-15-6-7-18-14(15)4/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyYWSQTAFMZHKRFS-UHFFFAOYSA-N
XLogP2.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
CID 61424459
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1-N-propylbutane-1,3-diamine
CID 55069522
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (CID 62412884) is N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is Cc1occc1CN(C)CC(C)CNCC(C)C.
What is the InChIKey of N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is YWSQTAFMZHKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)8-16-9-13(3)10-17(5)11-15-6-7-18-14(15)4/h6-7,12-13,16H,8-11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62412884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).