2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

C14H27NO — CID 106662846

IUPAC2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CC(C)(C)CC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h12-13,15H,1,6-10H2,2-5H3
InChIKeyBMLZNUPWIKCLIQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds6

About 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (PubChem CID 106662846) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
PubChem CID106662846
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CC(C)(C)CC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h12-13,15H,1,6-10H2,2-5H3
InChIKeyBMLZNUPWIKCLIQ-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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

3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 104531399
N-(2-methoxyethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661504
N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661533
N-(2-ethoxyethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661801
N-(2-butoxyethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662371
N-(1-ethoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662428
2,4,4-trimethyl-N-[2-(2-methylpropoxy)ethyl]cyclopentan-1-amine
CID 106662836
N-(2-but-3-enoxyethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106813229
N-(1-ethoxy-3-methylbutan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
CID 107094349
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 113589208
2,4,4-trimethyl-N-[2-(3-methylbutoxy)ethyl]cyclopentan-1-amine
CID 113861558
1-(aminomethyl)-2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 113861702

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (CID 106662846) is 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is C=C(C)COCCNC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The InChIKey is BMLZNUPWIKCLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-16-7-6-15-13-9-14(4,5)8-12(13)3/h12-13,15H,1,6-10H2,2-5H3.
What are the key properties of 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 106662846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).