N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine

C13H25NO — CID 104532447

IUPACN-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine
SMILESC=CCCOCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-4-5-9-15-10-8-14-12-6-7-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyUAIXZMYTNLNXLG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine

N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 104532447) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID104532447
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine
SMILESC=CCCOCCNC1CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-4-5-9-15-10-8-14-12-6-7-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyUAIXZMYTNLNXLG-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 164549620
N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 169094955
N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 169302315
N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110162
2-but-3-enoxy-N-(cyclopentylmethyl)ethanamine
CID 62598166
N-(2-but-3-enoxyethyl)-5-methylhexan-2-amine
CID 62599386
N-(2-methoxyethyl)-3-methylhept-6-en-2-amine
CID 80075421
N-(2-but-3-enoxyethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103578480
N-(2-but-3-enoxyethyl)-2-methylcyclopentan-1-amine
CID 103854444
N-(2-but-3-enoxyethyl)-3-methylcyclopentan-1-amine
CID 103854483
N-(2-but-3-enoxyethyl)-3-ethylcyclopentan-1-amine
CID 103854545
N-(2-but-3-enoxyethyl)-1-cyclobutylpropan-2-amine
CID 103904947

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine (CID 104532447) is N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine is C=CCCOCCNC1CCC(C)(C)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is UAIXZMYTNLNXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-9-15-10-8-14-12-6-7-13(2,3)11-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine?
N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104532447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).