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

C17H30N2O — CID 104692369

IUPACN-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCC1CCCCCN1Cc1cc(CNC(C)C)co1
InChIInChI=1S/C17H30N2O/c1-4-16-8-6-5-7-9-19(16)12-17-10-15(13-20-17)11-18-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeySLRXGUSFBQXVRU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.93
Rot. Bonds6

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

N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 104692369) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID104692369
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCC1CCCCCN1Cc1cc(CNC(C)C)co1
InChIInChI=1S/C17H30N2O/c1-4-16-8-6-5-7-9-19(16)12-17-10-15(13-20-17)11-18-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeySLRXGUSFBQXVRU-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55074188
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-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
CID 104692323
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 104692369) is N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CCC1CCCCCN1Cc1cc(CNC(C)C)co1.
What is the InChIKey of N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is SLRXGUSFBQXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-16-8-6-5-7-9-19(16)12-17-10-15(13-20-17)11-18-14(2)3/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104692369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).