2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine

C17H36N2O2 — CID 43588482

IUPAC2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H36N2O2/c1-17(2,3)15-7-6-14(13-18)16(12-15)19(8-10-20-4)9-11-21-5/h14-16H,6-13,18H2,1-5H3
InChIKeyVRVWPCFFBNLZAG-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.37
Rot. Bonds8

About 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 43588482) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
PubChem CID43588482
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H36N2O2/c1-17(2,3)15-7-6-14(13-18)16(12-15)19(8-10-20-4)9-11-21-5/h14-16H,6-13,18H2,1-5H3
InChIKeyVRVWPCFFBNLZAG-UHFFFAOYSA-N
XLogP2.37
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (CID 43588482) is 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine is COCCN(CCOC)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is VRVWPCFFBNLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-17(2,3)15-7-6-14(13-18)16(12-15)19(8-10-20-4)9-11-21-5/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 43588482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).