3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

C15H28N2O2 — CID 103225640

IUPAC3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOCC(CNCC(C)C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H28N2O2/c1-12(2)8-16-9-14(11-18-5)17(4)10-15-7-6-13(3)19-15/h6-7,12,14,16H,8-11H2,1-5H3
InChIKeyKUHZRKBCTYQHHV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.28
Rot. Bonds9

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

3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103225640) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103225640
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOCC(CNCC(C)C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H28N2O2/c1-12(2)8-16-9-14(11-18-5)17(4)10-15-7-6-13(3)19-15/h6-7,12,14,16H,8-11H2,1-5H3
InChIKeyKUHZRKBCTYQHHV-UHFFFAOYSA-N
XLogP2.28
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422455
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 79408703
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115570986
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
CID 43526109
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280275
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (CID 103225640) is 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is COCC(CNCC(C)C)N(C)Cc1ccc(C)o1.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is KUHZRKBCTYQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)8-16-9-14(11-18-5)17(4)10-15-7-6-13(3)19-15/h6-7,12,14,16H,8-11H2,1-5H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103225640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).