N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine

C16H29N3O — CID 62463352

IUPACN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H29N3O/c1-5-17-11-14-10-15(20-13-14)12-18-6-8-19(9-7-18)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyIUDYRAAAOGGKLU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.31
Rot. Bonds5

About N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine

N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62463352) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62463352
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H29N3O/c1-5-17-11-14-10-15(20-13-14)12-18-6-8-19(9-7-18)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyIUDYRAAAOGGKLU-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943
N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 63153088
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62432892
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]furan-3-yl]methyl]ethanamine
CID 55074754
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62932027
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456266
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine (CID 62463352) is N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(CN2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is IUDYRAAAOGGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-17-11-14-10-15(20-13-14)12-18-6-8-19(9-7-18)16(2,3)4/h10,13,17H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).