N-[2-(4-methylpentoxy)propyl]cyclopentanamine

C14H29NO — CID 62598653

IUPACN-[2-(4-methylpentoxy)propyl]cyclopentanamine
SMILESCC(C)CCCOC(C)CNC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)7-6-10-16-13(3)11-15-14-8-4-5-9-14/h12-15H,4-11H2,1-3H3
InChIKeyRXOUWLZZPIEXGC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(4-methylpentoxy)propyl]cyclopentanamine

N-[2-(4-methylpentoxy)propyl]cyclopentanamine (PubChem CID 62598653) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)propyl]cyclopentanamine
PubChem CID62598653
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[2-(4-methylpentoxy)propyl]cyclopentanamine
SMILESCC(C)CCCOC(C)CNC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)7-6-10-16-13(3)11-15-14-8-4-5-9-14/h12-15H,4-11H2,1-3H3
InChIKeyRXOUWLZZPIEXGC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine
CID 62583680
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-(2-pent-4-enoxypropyl)cyclopropanamine
CID 79112694
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
N-(2-pentan-2-yloxyethyl)cyclopentanamine
CID 102987392
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(4-methylpentoxy)propyl]cyclopentanamine (CID 62598653) is N-[2-(4-methylpentoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-methylpentoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-methylpentoxy)propyl]cyclopentanamine is CC(C)CCCOC(C)CNC1CCCC1.
What is the InChIKey of N-[2-(4-methylpentoxy)propyl]cyclopentanamine?
The InChIKey is RXOUWLZZPIEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)7-6-10-16-13(3)11-15-14-8-4-5-9-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[2-(4-methylpentoxy)propyl]cyclopentanamine?
N-[2-(4-methylpentoxy)propyl]cyclopentanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)propyl]cyclopentanamine is sourced from PubChem (CID 62598653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).