N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine

C16H29N3O — CID 63210843

IUPACN-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CCN2CCCC2)o1
InChIInChI=1S/C16H29N3O/c1-14(2)17-12-15-6-7-16(20-15)13-18(3)10-11-19-8-4-5-9-19/h6-7,14,17H,4-5,8-13H2,1-3H3
InChIKeyIWDARDBDOBPABV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.31
Rot. Bonds8

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

N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 63210843) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID63210843
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CCN2CCCC2)o1
InChIInChI=1S/C16H29N3O/c1-14(2)17-12-15-6-7-16(20-15)13-18(3)10-11-19-8-4-5-9-19/h6-7,14,17H,4-5,8-13H2,1-3H3
InChIKeyIWDARDBDOBPABV-UHFFFAOYSA-N
XLogP2.31
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-[[5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62459300
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62431328
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (CID 63210843) is N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)CCN2CCCC2)o1.
What is the InChIKey of N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is IWDARDBDOBPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14(2)17-12-15-6-7-16(20-15)13-18(3)10-11-19-8-4-5-9-19/h6-7,14,17H,4-5,8-13H2,1-3H3.
What are the key properties of N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63210843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).