1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C14H28N2O — CID 79074502

IUPAC1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2CCOC2)(N(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-4-7-14(8-5-11,16(2)3)13(15)12-6-9-17-10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyAQFWDMNXOPZBDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds3

About 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79074502) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79074502
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2CCOC2)(N(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-4-7-14(8-5-11,16(2)3)13(15)12-6-9-17-10-12/h11-13H,4-10,15H2,1-3H3
InChIKeyAQFWDMNXOPZBDW-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydrazinyl(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243421
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79907256
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(oxan-4-yl)ethanol
CID 79081968
N,N-dimethyl-1-[methylamino(oxolan-3-yl)methyl]cyclopentan-1-amine
CID 79069983
1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070124
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-[amino-(2-phenylcyclopropyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 116517701
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
1-(1-aminobut-3-ynyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074584
1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920

Frequently Asked Questions

What is the IUPAC name of 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79074502) is 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(N)C2CCOC2)(N(C)C)CC1.
What is the InChIKey of 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is AQFWDMNXOPZBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-4-7-14(8-5-11,16(2)3)13(15)12-6-9-17-10-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).