N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine

C13H27NO — CID 62597444

IUPACN-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
SMILESCCC(C)(C)OCCCNC1CCCC1
InChIInChI=1S/C13H27NO/c1-4-13(2,3)15-11-7-10-14-12-8-5-6-9-12/h12,14H,4-11H2,1-3H3
InChIKeyVGRVLCCDKMYJAM-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine

N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine (PubChem CID 62597444) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
PubChem CID62597444
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
SMILESCCC(C)(C)OCCCNC1CCCC1
InChIInChI=1S/C13H27NO/c1-4-13(2,3)15-11-7-10-14-12-8-5-6-9-12/h12,14H,4-11H2,1-3H3
InChIKeyVGRVLCCDKMYJAM-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine (CID 62597444) is N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine is CCC(C)(C)OCCCNC1CCCC1.
What is the InChIKey of N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine?
The InChIKey is VGRVLCCDKMYJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(2,3)15-11-7-10-14-12-8-5-6-9-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine?
N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine is sourced from PubChem (CID 62597444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).