1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C14H26N2O — CID 102651862

IUPAC1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)C2=CCCO2)(N(C)C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h7,11,13H,4-6,8-10,15H2,1-3H3
InChIKeyDAOFCXFKPXUUNF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.13
Rot. Bonds3

About 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 102651862) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID102651862
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)C2=CCCO2)(N(C)C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h7,11,13H,4-6,8-10,15H2,1-3H3
InChIKeyDAOFCXFKPXUUNF-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074466
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074764
1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855

Frequently Asked Questions

What is the IUPAC name of 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 102651862) is 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)C2=CCCO2)(N(C)C)C1.
What is the InChIKey of 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is DAOFCXFKPXUUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h7,11,13H,4-6,8-10,15H2,1-3H3.
What are the key properties of 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102651862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).