N-ethyl-1-propoxyhexan-3-amine

C11H25NO — CID 105080266

IUPACN-ethyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(CCC)NCC
InChIInChI=1S/C11H25NO/c1-4-7-11(12-6-3)8-10-13-9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyHRQUCGMNUYVEGH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-1-propoxyhexan-3-amine

N-ethyl-1-propoxyhexan-3-amine (PubChem CID 105080266) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-1-propoxyhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-propoxyhexan-3-amine
PubChem CID105080266
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(CCC)NCC
InChIInChI=1S/C11H25NO/c1-4-7-11(12-6-3)8-10-13-9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyHRQUCGMNUYVEGH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
N-ethyl-1-propoxyoct-6-yn-3-amine
CID 105181429
1-propoxy-N-propylheptan-4-amine
CID 79568616
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
N-ethyl-10-methoxydecan-4-amine
CID 104650043
N-ethylhexadecan-4-amine
CID 63413885
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propoxyhexan-3-amine?
The IUPAC name of N-ethyl-1-propoxyhexan-3-amine (CID 105080266) is N-ethyl-1-propoxyhexan-3-amine.
What is the SMILES notation for N-ethyl-1-propoxyhexan-3-amine?
The canonical SMILES for N-ethyl-1-propoxyhexan-3-amine is CCCOCCC(CCC)NCC.
What is the InChIKey of N-ethyl-1-propoxyhexan-3-amine?
The InChIKey is HRQUCGMNUYVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-11(12-6-3)8-10-13-9-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-propoxyhexan-3-amine?
N-ethyl-1-propoxyhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propoxyhexan-3-amine is sourced from PubChem (CID 105080266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).