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

C16H27N3O — CID 62413116

IUPACN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H27N3O/c1-13(2)17-10-14-9-16(20-12-14)11-18-5-7-19(8-6-18)15-3-4-15/h9,12-13,15,17H,3-8,10-11H2,1-2H3
InChIKeyBBHOBCUQCMPAGI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds6

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

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62413116) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62413116
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H27N3O/c1-13(2)17-10-14-9-16(20-12-14)11-18-5-7-19(8-6-18)15-3-4-15/h9,12-13,15,17H,3-8,10-11H2,1-2H3
InChIKeyBBHOBCUQCMPAGI-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-cyclopropylpiperazin-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-[(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-(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-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 63025339
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-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55074188

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62413116) is N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN2CCN(C3CC3)CC2)c1.
What is the InChIKey of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is BBHOBCUQCMPAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)17-10-14-9-16(20-12-14)11-18-5-7-19(8-6-18)15-3-4-15/h9,12-13,15,17H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62413116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).