3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

C13H25NO — CID 104531399

IUPAC3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-11(2)10-15-8-7-14-12-5-6-13(3,4)9-12/h12,14H,1,5-10H2,2-4H3
InChIKeyMSZPQSXTFVGFHO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (PubChem CID 104531399) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
PubChem CID104531399
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-11(2)10-15-8-7-14-12-5-6-13(3,4)9-12/h12,14H,1,5-10H2,2-4H3
InChIKeyMSZPQSXTFVGFHO-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-3,3-dimethylcyclopentan-1-amine
CID 80693587
N-(1-ethoxypropan-2-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705578
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine
CID 104532447
3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine
CID 106452627
2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 106662846
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114200861
4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
CID 114465917
2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 114465965
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
1-(aminomethyl)-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 114466248
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 114466436

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (CID 104531399) is 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is C=C(C)COCCNC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The InChIKey is MSZPQSXTFVGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)10-15-8-7-14-12-5-6-13(3,4)9-12/h12,14H,1,5-10H2,2-4H3.
What are the key properties of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 104531399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).