N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine

C13H25NO — CID 142269541

IUPACN-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)OC1CCCC1
InChIInChI=1S/C13H25NO/c1-10(13(3,4)5)14-11(2)15-12-8-6-7-9-12/h10,12,14H,2,6-9H2,1,3-5H3
InChIKeyUCLARJOEAXIGEA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.44
Rot. Bonds4

About N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine

N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine (PubChem CID 142269541) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine
PubChem CID142269541
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine
SMILESC=C(NC(C)C(C)(C)C)OC1CCCC1
InChIInChI=1S/C13H25NO/c1-10(13(3,4)5)14-11(2)15-12-8-6-7-9-12/h10,12,14H,2,6-9H2,1,3-5H3
InChIKeyUCLARJOEAXIGEA-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
3-methylbut-1-en-2-yloxycyclohexane;molecular hydrogen
CID 162020896
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59880557
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
3-methylbuta-1,3-dien-2-yloxycyclopentane
CID 163541173
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 172508642
cyclohexyl 2-aminopropanoate;ethene
CID 144654176

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine (CID 142269541) is N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine is C=C(NC(C)C(C)(C)C)OC1CCCC1.
What is the InChIKey of N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is UCLARJOEAXIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(13(3,4)5)14-11(2)15-12-8-6-7-9-12/h10,12,14H,2,6-9H2,1,3-5H3.
What are the key properties of N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine?
N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 142269541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).