N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine

C12H18N2O — CID 91621873

IUPACN,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
SMILESCN(C)CC#CC#CCN1CCOCC1
InChIInChI=1S/C12H18N2O/c1-13(2)7-5-3-4-6-8-14-9-11-15-12-10-14/h7-12H2,1-2H3
InChIKeyJJHOMVJLOFSZAF-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.11
Rot. Bonds2

About N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine

N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine (PubChem CID 91621873) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
PubChem CID91621873
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
SMILESCN(C)CC#CC#CCN1CCOCC1
InChIInChI=1S/C12H18N2O/c1-13(2)7-5-3-4-6-8-14-9-11-15-12-10-14/h7-12H2,1-2H3
InChIKeyJJHOMVJLOFSZAF-UHFFFAOYSA-N
XLogP-0.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58998022
CID 58998022
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
ethane;4-prop-2-ynylmorpholine
CID 144709407
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
CID 22403187
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
ethane;4-propylmorpholine
CID 143004992

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine?
The IUPAC name of N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine (CID 91621873) is N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine.
What is the SMILES notation for N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine?
The canonical SMILES for N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine is CN(C)CC#CC#CCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine?
The InChIKey is JJHOMVJLOFSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)7-5-3-4-6-8-14-9-11-15-12-10-14/h7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine?
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine has a molecular weight of 206.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine is sourced from PubChem (CID 91621873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).