3-methyl-3-morpholin-4-ylheptan-4-amine

C12H26N2O — CID 79064955

IUPAC3-methyl-3-morpholin-4-ylheptan-4-amine
SMILESCCCC(N)C(C)(CC)N1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-6-11(13)12(3,5-2)14-7-9-15-10-8-14/h11H,4-10,13H2,1-3H3
InChIKeyPKYWRKDSPBJRLF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 3-methyl-3-morpholin-4-ylheptan-4-amine

3-methyl-3-morpholin-4-ylheptan-4-amine (PubChem CID 79064955) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-ylheptan-4-amine.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-ylheptan-4-amine
PubChem CID79064955
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methyl-3-morpholin-4-ylheptan-4-amine
SMILESCCCC(N)C(C)(CC)N1CCOCC1
InChIInChI=1S/C12H26N2O/c1-4-6-11(13)12(3,5-2)14-7-9-15-10-8-14/h11H,4-10,13H2,1-3H3
InChIKeyPKYWRKDSPBJRLF-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-morpholin-4-ylnonan-4-amine
CID 79065779
(3-methyl-3-morpholin-4-ylheptan-4-yl)hydrazine
CID 105241447
4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
CID 103011088
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283
3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606
4-methyl-4-morpholin-4-yl-N-propylhexan-3-amine
CID 79065046
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065259
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-ylheptan-4-amine?
The IUPAC name of 3-methyl-3-morpholin-4-ylheptan-4-amine (CID 79064955) is 3-methyl-3-morpholin-4-ylheptan-4-amine.
What is the SMILES notation for 3-methyl-3-morpholin-4-ylheptan-4-amine?
The canonical SMILES for 3-methyl-3-morpholin-4-ylheptan-4-amine is CCCC(N)C(C)(CC)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-ylheptan-4-amine?
The InChIKey is PKYWRKDSPBJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-11(13)12(3,5-2)14-7-9-15-10-8-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-methyl-3-morpholin-4-ylheptan-4-amine?
3-methyl-3-morpholin-4-ylheptan-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-ylheptan-4-amine is sourced from PubChem (CID 79064955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).