N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C16H29N3O — CID 114540274

IUPACN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C16H29N3O/c1-12(2)17-7-15-6-16(20-11-15)10-19-8-13(3)18(5)14(4)9-19/h6,11-14,17H,7-10H2,1-5H3
InChIKeyCLRBUGQXDVNTAV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds5

About N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 114540274) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID114540274
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C16H29N3O/c1-12(2)17-7-15-6-16(20-11-15)10-19-8-13(3)18(5)14(4)9-19/h6,11-14,17H,7-10H2,1-5H3
InChIKeyCLRBUGQXDVNTAV-UHFFFAOYSA-N
XLogP2.30
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114537889
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 114540107
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 64578682
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 63025339
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282
N-[[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 114540274) is N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN2CC(C)N(C)C(C)C2)c1.
What is the InChIKey of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is CLRBUGQXDVNTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)17-7-15-6-16(20-11-15)10-19-8-13(3)18(5)14(4)9-19/h6,11-14,17H,7-10H2,1-5H3.
What are the key properties of N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114540274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).