N-ethyl-6-methoxyhexan-3-amine

C9H21NO — CID 60995140

IUPACN-ethyl-6-methoxyhexan-3-amine
SMILESCCNC(CC)CCCOC
InChIInChI=1S/C9H21NO/c1-4-9(10-5-2)7-6-8-11-3/h9-10H,4-8H2,1-3H3
InChIKeyJMBZXYMKGQYUQN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds7

About N-ethyl-6-methoxyhexan-3-amine

N-ethyl-6-methoxyhexan-3-amine (PubChem CID 60995140) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-6-methoxyhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxyhexan-3-amine
PubChem CID60995140
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-6-methoxyhexan-3-amine
SMILESCCNC(CC)CCCOC
InChIInChI=1S/C9H21NO/c1-4-9(10-5-2)7-6-8-11-3/h9-10H,4-8H2,1-3H3
InChIKeyJMBZXYMKGQYUQN-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
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

2-(3-Methoxypropyl)piperidine
CID 4712039
N-ethyl-6-methoxyhexan-1-amine
CID 64292143
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61490744
N-propyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61490745
N-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490776
N-ethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490777
N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490816
N-ethyl-6,6,6-trifluoro-1-methoxyhexan-3-amine
CID 64567215
6,6,6-trifluoro-1-methoxy-N-propylhexan-3-amine
CID 64567216
N-ethyl-1,1,1-trifluoro-7-methoxyheptan-4-amine
CID 65091872
1,1,1-trifluoro-7-methoxy-N-propylheptan-4-amine
CID 65092351
N-ethyl-1,1,1-trifluoro-5-methoxypentan-2-amine
CID 66467038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxyhexan-3-amine?
The IUPAC name of N-ethyl-6-methoxyhexan-3-amine (CID 60995140) is N-ethyl-6-methoxyhexan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxyhexan-3-amine?
The canonical SMILES for N-ethyl-6-methoxyhexan-3-amine is CCNC(CC)CCCOC.
What is the InChIKey of N-ethyl-6-methoxyhexan-3-amine?
The InChIKey is JMBZXYMKGQYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(10-5-2)7-6-8-11-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-6-methoxyhexan-3-amine?
N-ethyl-6-methoxyhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxyhexan-3-amine is sourced from PubChem (CID 60995140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).