6-methyl-1-propoxyheptan-4-amine

C11H25NO — CID 106454535

IUPAC6-methyl-1-propoxyheptan-4-amine
SMILESCCCOCCCC(N)CC(C)C
InChIInChI=1S/C11H25NO/c1-4-7-13-8-5-6-11(12)9-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyCOKZNSAVTAAAAI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds8

About 6-methyl-1-propoxyheptan-4-amine

6-methyl-1-propoxyheptan-4-amine (PubChem CID 106454535) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-methyl-1-propoxyheptan-4-amine.

Molecular Properties

Compound Name6-methyl-1-propoxyheptan-4-amine
PubChem CID106454535
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-methyl-1-propoxyheptan-4-amine
SMILESCCCOCCCC(N)CC(C)C
InChIInChI=1S/C11H25NO/c1-4-7-13-8-5-6-11(12)9-10(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyCOKZNSAVTAAAAI-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 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 ≤ 52.57
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

6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
(4R)-2-methyldecan-4-amine
CID 14572815
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
5-octoxypentane-1,2-diamine
CID 20527044
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
CID 177282057
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
13-methyl-1-(3-propoxypropylsulfinyl)tetradecane
CID 126585956

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propoxyheptan-4-amine?
The IUPAC name of 6-methyl-1-propoxyheptan-4-amine (CID 106454535) is 6-methyl-1-propoxyheptan-4-amine.
What is the SMILES notation for 6-methyl-1-propoxyheptan-4-amine?
The canonical SMILES for 6-methyl-1-propoxyheptan-4-amine is CCCOCCCC(N)CC(C)C.
What is the InChIKey of 6-methyl-1-propoxyheptan-4-amine?
The InChIKey is COKZNSAVTAAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-13-8-5-6-11(12)9-10(2)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 6-methyl-1-propoxyheptan-4-amine?
6-methyl-1-propoxyheptan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propoxyheptan-4-amine is sourced from PubChem (CID 106454535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).