N-(3-propan-2-yloxypropyl)pentan-3-amine

C11H25NO — CID 28727128

IUPACN-(3-propan-2-yloxypropyl)pentan-3-amine
SMILESCCC(CC)NCCCOC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(6-2)12-8-7-9-13-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyHCOJWLWODIVPKR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)pentan-3-amine

N-(3-propan-2-yloxypropyl)pentan-3-amine (PubChem CID 28727128) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)pentan-3-amine
PubChem CID28727128
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-propan-2-yloxypropyl)pentan-3-amine
SMILESCCC(CC)NCCCOC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(6-2)12-8-7-9-13-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeyHCOJWLWODIVPKR-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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

3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
N-[3-(2-methylpropoxy)propyl]pentan-3-amine
CID 28681675
2-(4-propan-2-yloxybutylamino)butanenitrile
CID 106009913
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81067526
1,6-di(propan-2-yloxy)hexane
CID 10899702
3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43108754
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)pentan-3-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)pentan-3-amine (CID 28727128) is N-(3-propan-2-yloxypropyl)pentan-3-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)pentan-3-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)pentan-3-amine is CCC(CC)NCCCOC(C)C.
What is the InChIKey of N-(3-propan-2-yloxypropyl)pentan-3-amine?
The InChIKey is HCOJWLWODIVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(6-2)12-8-7-9-13-10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-propan-2-yloxypropyl)pentan-3-amine?
N-(3-propan-2-yloxypropyl)pentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)pentan-3-amine is sourced from PubChem (CID 28727128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).