1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine

C16H34N2O — CID 55004742

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine
SMILESCCC(CC)N(CCOC)C1(CN)CCCCCC1
InChIInChI=1S/C16H34N2O/c1-4-15(5-2)18(12-13-19-3)16(14-17)10-8-6-7-9-11-16/h15H,4-14,17H2,1-3H3
InChIKeyAJOCBJWZNKWNOB-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.18
Rot. Bonds8

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine (PubChem CID 55004742) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine
PubChem CID55004742
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine
SMILESCCC(CC)N(CCOC)C1(CN)CCCCCC1
InChIInChI=1S/C16H34N2O/c1-4-15(5-2)18(12-13-19-3)16(14-17)10-8-6-7-9-11-16/h15H,4-14,17H2,1-3H3
InChIKeyAJOCBJWZNKWNOB-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine (CID 55004742) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine is CCC(CC)N(CCOC)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine?
The InChIKey is AJOCBJWZNKWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-15(5-2)18(12-13-19-3)16(14-17)10-8-6-7-9-11-16/h15H,4-14,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylcycloheptan-1-amine is sourced from PubChem (CID 55004742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).