2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide

C17H35N3O — CID 43588518

IUPAC2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H35N3O/c1-7-20(12-16(21)19(5)6)15-10-14(17(2,3)4)9-8-13(15)11-18/h13-15H,7-12,18H2,1-6H3
InChIKeyUXLQWTZAHAPCPH-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.19
Rot. Bonds5

About 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide

2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 43588518) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
PubChem CID43588518
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H35N3O/c1-7-20(12-16(21)19(5)6)15-10-14(17(2,3)4)9-8-13(15)11-18/h13-15H,7-12,18H2,1-6H3
InChIKeyUXLQWTZAHAPCPH-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
CID 54985135
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
CID 43575620
2-[(2-aminocyclohexyl)-ethylamino]-N,N-dimethylacetamide
CID 61449581
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61421823
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide (CID 43588518) is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is UXLQWTZAHAPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-7-20(12-16(21)19(5)6)15-10-14(17(2,3)4)9-8-13(15)11-18/h13-15H,7-12,18H2,1-6H3.
What are the key properties of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide?
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43588518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).