N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine

C14H31N3O — CID 170584460

IUPACN,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
SMILESCC.CNCC(C)C.NC#CCN1CCOCC1
InChIInChI=1S/C7H12N2O.C5H13N.C2H6/c8-2-1-3-9-4-6-10-7-5-9;1-5(2)4-6-3;1-2/h3-8H2;5-6H,4H2,1-3H3;1-2H3
InChIKeyWTTOZWZDAPAMAD-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.13
Rot. Bonds3

About N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine

N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine (PubChem CID 170584460) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine.

Molecular Properties

Compound NameN,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
PubChem CID170584460
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
SMILESCC.CNCC(C)C.NC#CCN1CCOCC1
InChIInChI=1S/C7H12N2O.C5H13N.C2H6/c8-2-1-3-9-4-6-10-7-5-9;1-5(2)4-6-3;1-2/h3-8H2;5-6H,4H2,1-3H3;1-2H3
InChIKeyWTTOZWZDAPAMAD-UHFFFAOYSA-N
XLogP1.13
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine with MolForge

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Related Compounds

(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
CID 58998022
CID 58998022
ethane;4-prop-2-ynylmorpholine
CID 144709407
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
N,2-dimethyl-3-morpholin-4-ylbutan-1-amine
CID 79414599
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500
ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine
CID 143536413
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine?
The IUPAC name of N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine (CID 170584460) is N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine.
What is the SMILES notation for N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine?
The canonical SMILES for N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine is CC.CNCC(C)C.NC#CCN1CCOCC1.
What is the InChIKey of N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine?
The InChIKey is WTTOZWZDAPAMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C5H13N.C2H6/c8-2-1-3-9-4-6-10-7-5-9;1-5(2)4-6-3;1-2/h3-8H2;5-6H,4H2,1-3H3;1-2H3.
What are the key properties of N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine?
N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine is sourced from PubChem (CID 170584460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).