N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine

C15H30N2O — CID 55066169

IUPACN,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCC2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(8-4-3-5-9-15)13-16-12-14-6-10-18-11-7-14/h14,16H,3-13H2,1-2H3
InChIKeyIGGGHATXRRQTSC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 55066169) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine
PubChem CID55066169
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCC2CCOCC2)CCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(8-4-3-5-9-15)13-16-12-14-6-10-18-11-7-14/h14,16H,3-13H2,1-2H3
InChIKeyIGGGHATXRRQTSC-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine (CID 55066169) is N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine is CN(C)C1(CNCC2CCOCC2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is IGGGHATXRRQTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(2)15(8-4-3-5-9-15)13-16-12-14-6-10-18-11-7-14/h14,16H,3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55066169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).