4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine

C11H24N2O2 — CID 102697083

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine
SMILESCOC(C)CNC1(CN)CCCOCC1
InChIInChI=1S/C11H24N2O2/c1-10(14-2)8-13-11(9-12)4-3-6-15-7-5-11/h10,13H,3-9,12H2,1-2H3
InChIKeyGMPXEPDMEOKICQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine

4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine (PubChem CID 102697083) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine
PubChem CID102697083
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine
SMILESCOC(C)CNC1(CN)CCCOCC1
InChIInChI=1S/C11H24N2O2/c1-10(14-2)8-13-11(9-12)4-3-6-15-7-5-11/h10,13H,3-9,12H2,1-2H3
InChIKeyGMPXEPDMEOKICQ-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-propan-2-yloxepan-4-amine
CID 65079221
2-(2-Methyl-1,4-oxazepan-4-yl)-2-(oxan-3-yl)ethanamine
CID 55242420
2-methyl-1-N-(oxan-2-ylmethyl)pentane-1,2-diamine
CID 61611984
4-(aminomethyl)-N-(2-methoxyethyl)-2-propyloxan-4-amine
CID 64107438
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyloxan-4-amine
CID 64107439
4-(aminomethyl)-N-(2-methoxyethyl)-2-propan-2-yloxan-4-amine
CID 64107441
[2-Methyl-4-(1,4-oxazepan-4-yl)oxan-4-yl]methanamine
CID 64107442
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethyloxan-4-amine
CID 64107621
4-(aminomethyl)-N-(2-methoxyethyl)-2,2-dimethyloxan-4-amine
CID 64107645
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyloxan-4-amine
CID 64108032
4-(aminomethyl)-N-(2-methoxyethyl)-N,2-dimethyloxan-4-amine
CID 64108432
4-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2-methyloxan-4-amine
CID 64108450

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine (CID 102697083) is 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine is COC(C)CNC1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine?
The InChIKey is GMPXEPDMEOKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(14-2)8-13-11(9-12)4-3-6-15-7-5-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine?
4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine has a molecular weight of 216.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxypropyl)oxepan-4-amine is sourced from PubChem (CID 102697083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).