azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine

C12H33N3OS — CID 144959575

IUPACazane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine
SMILESCCCCCNC.CN1CCOCC1.CS.N
InChIInChI=1S/C6H15N.C5H11NO.CH4S.H3N/c1-3-4-5-6-7-2;1-6-2-4-7-5-3-6;1-2;/h7H,3-6H2,1-2H3;2-5H2,1H3;2H,1H3;1H3
InChIKeyRDLHJTXMDBVWAF-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.05
Rot. Bonds4

About azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine

azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine (PubChem CID 144959575) has the molecular formula C12H33N3OS and a molecular weight of 267.48 g/mol. Its IUPAC name is azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine.

Molecular Properties

Compound Nameazane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine
PubChem CID144959575
Molecular FormulaC12H33N3OS
Molecular Weight267.48 g/mol
Exact Mass267.23
IUPAC Nameazane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine
SMILESCCCCCNC.CN1CCOCC1.CS.N
InChIInChI=1S/C6H15N.C5H11NO.CH4S.H3N/c1-3-4-5-6-7-2;1-6-2-4-7-5-3-6;1-2;/h7H,3-6H2,1-2H3;2-5H2,1H3;2H,1H3;1H3
InChIKeyRDLHJTXMDBVWAF-UHFFFAOYSA-N
XLogP2.05
TPSA59.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butane;bis(4-methylmorpholine)
CID 159010392
2-(methylamino)ethanesulfonic acid;4-methylmorpholine
CID 157164072
N-methyltriacontan-1-amine
CID 19840895
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
N-fluoroethanamine;4-methylmorpholine
CID 142858487
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
4-hexylmorpholine
CID 3614751
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
lithium;4-methylmorpholine;chloride
CID 172748649
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432

Frequently Asked Questions

What is the IUPAC name of azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine?
The IUPAC name of azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine (CID 144959575) is azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine.
What is the SMILES notation for azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine?
The canonical SMILES for azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine is CCCCCNC.CN1CCOCC1.CS.N.
What is the InChIKey of azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine?
The InChIKey is RDLHJTXMDBVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H11NO.CH4S.H3N/c1-3-4-5-6-7-2;1-6-2-4-7-5-3-6;1-2;/h7H,3-6H2,1-2H3;2-5H2,1H3;2H,1H3;1H3.
What are the key properties of azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine?
azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine is sourced from PubChem (CID 144959575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).