N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

C17H30N2O — CID 62422888

IUPACN-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1cc(CNC(C)C)oc1C
InChIInChI=1S/C17H30N2O/c1-5-16-8-6-7-9-19(16)12-15-10-17(20-14(15)4)11-18-13(2)3/h10,13,16,18H,5-9,11-12H2,1-4H3
InChIKeyPZFMMXWDVJZMDW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.85
Rot. Bonds6

About N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62422888) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62422888
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1cc(CNC(C)C)oc1C
InChIInChI=1S/C17H30N2O/c1-5-16-8-6-7-9-19(16)12-15-10-17(20-14(15)4)11-18-13(2)3/h10,13,16,18H,5-9,11-12H2,1-4H3
InChIKeyPZFMMXWDVJZMDW-UHFFFAOYSA-N
XLogP3.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62422888) is N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is CCC1CCCCN1Cc1cc(CNC(C)C)oc1C.
What is the InChIKey of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is PZFMMXWDVJZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-16-8-6-7-9-19(16)12-15-10-17(20-14(15)4)11-18-13(2)3/h10,13,16,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62422888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).