N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine

C16H29N3O — CID 63274233

IUPACN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN(C)CC2CCN(C)C2)c1
InChIInChI=1S/C16H29N3O/c1-13(2)17-8-15-7-16(20-12-15)11-19(4)10-14-5-6-18(3)9-14/h7,12-14,17H,5-6,8-11H2,1-4H3
InChIKeyDHLFXXQPZYNNEE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.16
Rot. Bonds7

About N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 63274233) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID63274233
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN(C)CC2CCN(C)C2)c1
InChIInChI=1S/C16H29N3O/c1-13(2)17-8-15-7-16(20-12-15)11-19(4)10-14-5-6-18(3)9-14/h7,12-14,17H,5-6,8-11H2,1-4H3
InChIKeyDHLFXXQPZYNNEE-UHFFFAOYSA-N
XLogP2.16
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
CID 62546318
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 114238247
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 63274233) is N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN(C)CC2CCN(C)C2)c1.
What is the InChIKey of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is DHLFXXQPZYNNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)17-8-15-7-16(20-12-15)11-19(4)10-14-5-6-18(3)9-14/h7,12-14,17H,5-6,8-11H2,1-4H3.
What are the key properties of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63274233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).