2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

C17H31N3O — CID 62423437

IUPAC2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCN1CCN(Cc2ccc(CNCC(C)C)o2)CC1
InChIInChI=1S/C17H31N3O/c1-4-7-19-8-10-20(11-9-19)14-17-6-5-16(21-17)13-18-12-15(2)3/h5-6,15,18H,4,7-14H2,1-3H3
InChIKeyOYZZBQLRDNBIFB-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.55
Rot. Bonds8

About 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62423437) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62423437
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCN1CCN(Cc2ccc(CNCC(C)C)o2)CC1
InChIInChI=1S/C17H31N3O/c1-4-7-19-8-10-20(11-9-19)14-17-6-5-16(21-17)13-18-12-15(2)3/h5-6,15,18H,4,7-14H2,1-3H3
InChIKeyOYZZBQLRDNBIFB-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
CID 62432812
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63024993
2-methyl-N-[[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62440062
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62417798
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62441140
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62774837
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
N,N-dimethyl-2-[4-[[5-(methylaminomethyl)furan-2-yl]methyl]piperazin-1-yl]ethanamine
CID 62890274
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 62423437) is 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCN1CCN(Cc2ccc(CNCC(C)C)o2)CC1.
What is the InChIKey of 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is OYZZBQLRDNBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-7-19-8-10-20(11-9-19)14-17-6-5-16(21-17)13-18-12-15(2)3/h5-6,15,18H,4,7-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62423437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).