2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C18H36N2O — CID 61433986

IUPAC2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H36N2O/c1-5-20(13-16-7-6-10-21-16)17-11-15(18(2,3)4)9-8-14(17)12-19/h14-17H,5-13,19H2,1-4H3
InChIKeyYVUAORLOJBUPAU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.28
Rot. Bonds5

About 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 61433986) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID61433986
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H36N2O/c1-5-20(13-16-7-6-10-21-16)17-11-15(18(2,3)4)9-8-14(17)12-19/h14-17H,5-13,19H2,1-4H3
InChIKeyYVUAORLOJBUPAU-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999221
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 61433986) is 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is YVUAORLOJBUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-20(13-16-7-6-10-21-16)17-11-15(18(2,3)4)9-8-14(17)12-19/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61433986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).