1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol

C14H26N2O2 — CID 113317475

IUPAC1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCc1occc1CN(C)CC(O)CNCC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)7-15-8-14(17)10-16(4)9-13-5-6-18-12(13)3/h5-6,11,14-15,17H,7-10H2,1-4H3
InChIKeyAAVXQFLPBPVSGB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.63
Rot. Bonds8

About 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol

1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113317475) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
PubChem CID113317475
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCc1occc1CN(C)CC(O)CNCC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)7-15-8-14(17)10-16(4)9-13-5-6-18-12(13)3/h5-6,11,14-15,17H,7-10H2,1-4H3
InChIKeyAAVXQFLPBPVSGB-UHFFFAOYSA-N
XLogP1.63
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
1-(2-methoxyethylamino)-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-2-ol
CID 113317474
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
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598
1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 115475479
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol (CID 113317475) is 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol is Cc1occc1CN(C)CC(O)CNCC(C)C.
What is the InChIKey of 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is AAVXQFLPBPVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)7-15-8-14(17)10-16(4)9-13-5-6-18-12(13)3/h5-6,11,14-15,17H,7-10H2,1-4H3.
What are the key properties of 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol?
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113317475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).