N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine

C19H39N — CID 170073421

IUPACN-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine
SMILESCCC1C(C)CC(N(C(C)C(C)(C)C)C(C)(C)C)C1C
InChIInChI=1S/C19H39N/c1-11-16-13(2)12-17(14(16)3)20(19(8,9)10)15(4)18(5,6)7/h13-17H,11-12H2,1-10H3
InChIKeySPFWDFLNYKUCTM-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.59
Rot. Bonds3

About N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine

N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine (PubChem CID 170073421) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine
PubChem CID170073421
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine
SMILESCCC1C(C)CC(N(C(C)C(C)(C)C)C(C)(C)C)C1C
InChIInChI=1S/C19H39N/c1-11-16-13(2)12-17(14(16)3)20(19(8,9)10)15(4)18(5,6)7/h13-17H,11-12H2,1-10H3
InChIKeySPFWDFLNYKUCTM-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine?
The IUPAC name of N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine (CID 170073421) is N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine?
The canonical SMILES for N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine is CCC1C(C)CC(N(C(C)C(C)(C)C)C(C)(C)C)C1C.
What is the InChIKey of N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine?
The InChIKey is SPFWDFLNYKUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-11-16-13(2)12-17(14(16)3)20(19(8,9)10)15(4)18(5,6)7/h13-17H,11-12H2,1-10H3.
What are the key properties of N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine?
N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,3-dimethylbutan-2-yl)-3-ethyl-2,4-dimethylcyclopentan-1-amine is sourced from PubChem (CID 170073421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).