N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine

C17H35N — CID 81023448

IUPACN-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
SMILESCCC1CCC(C(C)(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-14-8-10-15(11-9-14)17(5,6)12-13-18-16(2,3)4/h14-15,18H,7-13H2,1-6H3
InChIKeyDNNSKWNTUCVACA-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds5

About N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine

N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine (PubChem CID 81023448) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
PubChem CID81023448
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
SMILESCCC1CCC(C(C)(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-7-14-8-10-15(11-9-14)17(5,6)12-13-18-16(2,3)4/h14-15,18H,7-13H2,1-6H3
InChIKeyDNNSKWNTUCVACA-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine (CID 81023448) is N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine is CCC1CCC(C(C)(C)CCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine?
The InChIKey is DNNSKWNTUCVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-14-8-10-15(11-9-14)17(5,6)12-13-18-16(2,3)4/h14-15,18H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine?
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine is sourced from PubChem (CID 81023448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).