1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine

C15H32N2O2 — CID 55005410

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine
SMILESCOCCN(C(C)COC)C1(CN)CCCCCC1
InChIInChI=1S/C15H32N2O2/c1-14(12-19-3)17(10-11-18-2)15(13-16)8-6-4-5-7-9-15/h14H,4-13,16H2,1-3H3
InChIKeyRFPGMDWKERXQOG-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.02
Rot. Bonds8

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine (PubChem CID 55005410) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine
PubChem CID55005410
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine
SMILESCOCCN(C(C)COC)C1(CN)CCCCCC1
InChIInChI=1S/C15H32N2O2/c1-14(12-19-3)17(10-11-18-2)15(13-16)8-6-4-5-7-9-15/h14H,4-13,16H2,1-3H3
InChIKeyRFPGMDWKERXQOG-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine (CID 55005410) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine is COCCN(C(C)COC)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine?
The InChIKey is RFPGMDWKERXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(12-19-3)17(10-11-18-2)15(13-16)8-6-4-5-7-9-15/h14H,4-13,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 55005410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).