2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine

C14H26N2O — CID 61426720

IUPAC2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-14(10-15)16(3)11-13-8-9-17-12(13)2/h8-9,14H,4-7,10-11,15H2,1-3H3
InChIKeyXXKIYQXXDUJHDA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.93
Rot. Bonds8

About 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine

2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine (PubChem CID 61426720) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
PubChem CID61426720
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
SMILESCCCCCC(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-14(10-15)16(3)11-13-8-9-17-12(13)2/h8-9,14H,4-7,10-11,15H2,1-3H3
InChIKeyXXKIYQXXDUJHDA-UHFFFAOYSA-N
XLogP2.93
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.93
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-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
CID 66426470
2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1-N-propylbutane-1,3-diamine
CID 55069522
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432322
1-N-ethyl-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]pentane-1,4-diamine
CID 62411483
2-methyl-3-pentylfuran
CID 12555082
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine (CID 61426720) is 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine is CCCCCC(CN)N(C)Cc1ccoc1C.
What is the InChIKey of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
The InChIKey is XXKIYQXXDUJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-6-7-14(10-15)16(3)11-13-8-9-17-12(13)2/h8-9,14H,4-7,10-11,15H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine?
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine is sourced from PubChem (CID 61426720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).