1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine

C13H24N2O — CID 82854049

IUPAC1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
SMILESCc1ccc(CN(C)CCCCC(C)N)o1
InChIInChI=1S/C13H24N2O/c1-11(14)6-4-5-9-15(3)10-13-8-7-12(2)16-13/h7-8,11H,4-6,9-10,14H2,1-3H3
InChIKeyYPFBFUGSNMHVSW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds7

About 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine

1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine (PubChem CID 82854049) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
PubChem CID82854049
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
SMILESCc1ccc(CN(C)CCCCC(C)N)o1
InChIInChI=1S/C13H24N2O/c1-11(14)6-4-5-9-15(3)10-13-8-7-12(2)16-13/h7-8,11H,4-6,9-10,14H2,1-3H3
InChIKeyYPFBFUGSNMHVSW-UHFFFAOYSA-N
XLogP2.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(5-methylfuran-2-yl)methyl]amino]butanethioamide
CID 43526322
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 61396861
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine?
The IUPAC name of 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine (CID 82854049) is 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine is Cc1ccc(CN(C)CCCCC(C)N)o1.
What is the InChIKey of 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine?
The InChIKey is YPFBFUGSNMHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(14)6-4-5-9-15(3)10-13-8-7-12(2)16-13/h7-8,11H,4-6,9-10,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine?
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine is sourced from PubChem (CID 82854049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).