3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine

C12H22N2O — CID 43526109

IUPAC3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
SMILESCCC(CCN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-4-11(7-8-13)14(3)9-12-6-5-10(2)15-12/h5-6,11H,4,7-9,13H2,1-3H3
InChIKeyQSZUBAQZOCBWFS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.15
Rot. Bonds6

About 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine

3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine (PubChem CID 43526109) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
PubChem CID43526109
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
SMILESCCC(CCN)N(C)Cc1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-4-11(7-8-13)14(3)9-12-6-5-10(2)15-12/h5-6,11H,4,7-9,13H2,1-3H3
InChIKeyQSZUBAQZOCBWFS-UHFFFAOYSA-N
XLogP2.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422455
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
CID 66432134
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 81146223
3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225640
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine (CID 43526109) is 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine is CCC(CCN)N(C)Cc1ccc(C)o1.
What is the InChIKey of 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine?
The InChIKey is QSZUBAQZOCBWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(7-8-13)14(3)9-12-6-5-10(2)15-12/h5-6,11H,4,7-9,13H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine?
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine is sourced from PubChem (CID 43526109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).