N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C16H32N2O — CID 55249798

IUPACN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-11-16(7-10-19-13-16)12-18-8-4-5-15(3)6-9-18/h14-15,17H,4-13H2,1-3H3
InChIKeyHJUGQLAOFINYQX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55249798) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID55249798
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)17-11-16(7-10-19-13-16)12-18-8-4-5-15(3)6-9-18/h14-15,17H,4-13H2,1-3H3
InChIKeyHJUGQLAOFINYQX-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258067
N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391983
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 55249798) is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC1CCCN(CC2(CNC(C)C)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is HJUGQLAOFINYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-11-16(7-10-19-13-16)12-18-8-4-5-15(3)6-9-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).