N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C17H30N2O — CID 62439093

IUPACN-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CN2CCCCCC2)oc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)11-18-12-17-15(3)10-16(20-17)13-19-8-6-4-5-7-9-19/h10,14,18H,4-9,11-13H2,1-3H3
InChIKeyAYORRWDWRIGANV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds6

About N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62439093) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62439093
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CN2CCCCCC2)oc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)11-18-12-17-15(3)10-16(20-17)13-19-8-6-4-5-7-9-19/h10,14,18H,4-9,11-13H2,1-3H3
InChIKeyAYORRWDWRIGANV-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62417857
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62441385
1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62930306
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553

Frequently Asked Questions

What is the IUPAC name of N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 62439093) is N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is Cc1cc(CN2CCCCCC2)oc1CNCC(C)C.
What is the InChIKey of N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AYORRWDWRIGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)11-18-12-17-15(3)10-16(20-17)13-19-8-6-4-5-7-9-19/h10,14,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62439093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).