N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine

C16H28N2O2 — CID 56914710

IUPACN,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine
SMILESCCCc1ccc(CN2CCOCC(CN(C)C)C2)o1
InChIInChI=1S/C16H28N2O2/c1-4-5-15-6-7-16(20-15)12-18-8-9-19-13-14(11-18)10-17(2)3/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyOFAHHYZLZBKHAE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.24
Rot. Bonds6

About N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine

N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine (PubChem CID 56914710) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine
PubChem CID56914710
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine
SMILESCCCc1ccc(CN2CCOCC(CN(C)C)C2)o1
InChIInChI=1S/C16H28N2O2/c1-4-5-15-6-7-16(20-15)12-18-8-9-19-13-14(11-18)10-17(2)3/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyOFAHHYZLZBKHAE-UHFFFAOYSA-N
XLogP2.24
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
CID 99946183
3-[4-[[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77085058
3-[4-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]phenyl]prop-2-yn-1-ol
CID 99931690
1-[(6R)-4-[(3-chloro-5-fluorophenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99946229
1-[3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-2,4,6-trimethylphenyl]ethanone
CID 95726681
1-[(6R)-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 99927971
4-[[(3R)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]methyl]morpholine
CID 97158913
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
1-[(6S)-4-[(3,5-dichloro-2-methoxyphenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95728687
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95221791

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine (CID 56914710) is N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine is CCCc1ccc(CN2CCOCC(CN(C)C)C2)o1.
What is the InChIKey of N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine?
The InChIKey is OFAHHYZLZBKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-15-6-7-16(20-15)12-18-8-9-19-13-14(11-18)10-17(2)3/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine?
N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine has a molecular weight of 280.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine is sourced from PubChem (CID 56914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).